MCULE-4876944154
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
![]() Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
![]() Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
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MCULE-1202382499
- Component type: Main
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MCULE-1204300650
- Component type: Main
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MCULE-5106434875
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-4876944154.sdf |
| SMILES | MCULE-4876944154.smiles |
| Standard InChI | MCULE-4876944154.inchi |
| InChIKey | MCULE-4876944154.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903154203 | 98 | As is | 300 g |
| P-1274921514 | 95 | As is | by synthesis |
| P-893505426 | 90 | As is | 6.21089 kg |
| P-617049136 | 97 | As is | by resynthesis (? - ? days) |
| P-851244031 | 95 | As is | by synthesis |
| P-868581980 | 98 | As is | in stock |
| P-861986690 | 95 | As is | 123.003 g |
| P-905337814 | 95 | As is | 8.25 g |
| P-579623111 | 98 | As is | in stock |
| P-1272580653 | 95 | As is | 2 g |
| P-852443059 | 95 | As is | by synthesis |
| P-854729495 | 95 | As is | in stock |
| P-903122078 | 97 | As a main component | 15 g |
| P-1264636912 | 95 | As a main component | 2 g |
| P-1274436757 | 90 | As a main component | 2 g |
| P-893527759 | 90 | As a main component | 67.75 g |
| P-1275131069 | 95 | As a main component | in stock |
| P-590977523 | 95 | As a main component | by synthesis |
| P-1264196015 | 95 | As a main component | by synthesis |
| P-851288321 | 95 | As a main component | by synthesis |
| P-851288322 | 95 | As a main component | by synthesis |
| P-861494850 | 95 | As a main component | by synthesis |
| P-893635370 | 95 | As a main component | by synthesis |
| P-862099471 | 95 | As a main component | 2 g |
| P-905348429 | 97 | As a main component | 1.25 g |
| P-862046580 | 97 | As a main component | 32.75 g |
| P-863714254 | 95 | As a main component | in stock |
| P-895400687 | 95 | As a main component | by synthesis |
| P-895249475 | 95 | As a component | by synthesis |
| P-867569716 | 97 | As an isomer | in stock |
| P-875729689 | 97 | As an isomer | in stock |
| P-1275192740 | 97 | As an isomer | in stock |
| P-903058714 | 97 | As an isomer | 1000 mg |
| P-610976285 | 90 | As an isomer | 6.33748 kg |
| P-1270302293 | 97 | As an isomer | in stock |
| P-580265172 | 95 | As an isomer | by synthesis |
| P-617049090 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-893301371 | 97 | As an isomer | in stock |
| P-606847595 | N/A | As an isomer | in stock |
| P-489154968 | 97 | As an isomer | in stock |
| P-596948893 | 97 | As an isomer | 24.25 g |
| P-494350510 | 95 | As an isomer | 190 mg |
| P-596472819 | 90 | As an isomer | 1000 mg |
| P-864100153 | 95 | As an isomer | in stock |
| P-492246990 | 95 | As an isomer | in stock |
| P-454634436 | 90 | As an isomer | in stock |
| P-584581411 | 90 | As an isomer | 8 mg |
| P-436444135 | 90 | As an isomer | 64.73 g |
| P-340306 | 90 | As an isomer | 219 mg |
| P-436448064 | 95 | As an isomer | in stock |
| P-19940326 | 90 | As an isomer | in stock |
| P-851244402 | 95 | As an isomer | by synthesis |
| P-861271339 | 95 | As an isomer | in stock |
| P-868581349 | 97 | As an isomer | in stock |
| P-580756166 | 90 | As an isomer | by synthesis |
| P-580424690 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-575337170 | 95 | As an isomer | in stock |
| P-861974835 | 95 | As an isomer | 147.216 g |
| P-905335256 | 95 | As an isomer | 53 g |
| P-579522096 | 90 | As an isomer | 5 g |
| P-890210941 | 90 | As an isomer | in stock |
| P-505526425 | 95 | As an isomer | in stock |
| P-14042536 | 90 | As an isomer | no data |
| P-492244719 | 95 | As an isomer | in stock |
| P-619809671 | 96 | As an isomer | in stock |
| P-524174797 | 95 | As an isomer | unavailable |
| P-855918720 | 97 | As an isomer | 1000 mg |
| P-454399832 | 95 | As an isomer | 241 mg |
| P-454314756 | 95 | As an isomer | 241 mg |
| P-870641002 | 97 | As an isomer | 100 mg |
| P-579619937 | 95 | As an isomer | in stock |
| P-579686961 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-1273201351 | 95 | As an isomer | 10 g |
| P-14059242 | 95 | As an isomer | 11.093 g |
| P-601052093 | 90 | As an isomer | 11.093 g |
| P-580514769 | 97 | As an isomer | in stock |
| P-1272565353 | N/A | As an isomer | 10 g |
| P-852384166 | N/A | As an isomer | by synthesis |
| P-854729494 | 95 | As an isomer | in stock |
| P-579714390 | N/A | As an isomer | in stock |
| P-888866369 | N/A | As an isomer | in stock |
| P-500411075 | 97 | As an isomer | by synthesis |
| P-859988568 | 95 | As an isomer | by synthesis |
| P-519867431 | 90 | As an isomer | in stock |
| P-22625484 | 90 | As an isomer | in stock |
| P-502340884 | 90 | As an isomer | in stock |
| P-888436220 | 94 | As an isomer | by resynthesis (? - ? days) |
| P-906877753 | 95 | As an isomer | by synthesis |
| P-611559089 | 90 | As an isomer | in stock |
| P-615645917 | 95 | As an isomer | unavailable |
| P-1271576900 | 97 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 122.168 |
| logP | 1.8016 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 38.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 36.7174 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

