MCULE-4387650546
- 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 | 27 USD | 98 | 16 working days | Get Quote |
| 5 mg | 43 USD | 98 | 16 working days | Get Quote |
| 10 mg | 56 USD | 98 | 16 working days | Get Quote |
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MCULE-1617165059
- Component type: Main
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MCULE-6322116749
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4387650546.sdf |
| SMILES | MCULE-4387650546.smiles |
| Standard InChI | MCULE-4387650546.inchi |
| InChIKey | MCULE-4387650546.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893423464 | 90 | As is | by synthesis |
| P-889511060 | 95 | As is | by synthesis |
| P-851313423 | 95 | As is | by synthesis |
| P-900265098 | 95 | As is | in stock |
| P-902980351 | 95 | As is | by synthesis |
| P-491318648 | 95 | As is | by synthesis |
| P-867543639 | N/A | As a main component | in stock |
| P-875700776 | N/A | As a main component | in stock |
| P-869237877 | 95 | As a main component | by resynthesis (? - ? days) |
| P-872725925 | 98 | As a main component | in stock |
| P-1264051745 | 98 | As a main component | in stock |
| P-610994501 | 90 | As a main component | 17.244 g |
| P-489235809 | 97 | As a main component | in stock |
| P-596939114 | 99 | As a main component | 1000 mg |
| P-1273451702 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864116464 | 95 | As a main component | in stock |
| P-860055891 | 98 | As a main component | by synthesis |
| P-868543706 | 99 | As a main component | in stock |
| P-1275107493 | N/A | As a main component | by resynthesis (? - ? days) |
| P-605202084 | 95 | As a main component | 8.8 g |
| P-861286746 | 98 | As a main component | in stock |
| P-580450654 | 99 | As a main component | in stock |
| P-861498629 | 95 | As a main component | by synthesis |
| P-579480194 | 95 | As a main component | in stock |
| P-500142515 | 98 | As a main component | in stock |
| P-901410389 | 98 | As a main component | 2 g |
| P-675215648 | 95 | As a main component | in stock |
| P-1273109346 | 97 | As a main component | 100 mg |
| P-854714430 | 95 | As a main component | in stock |
| P-1263153544 | 95 | As a main component | by synthesis |
| P-474021411 | 95 | As a main component | in stock |
| P-608271572 | 98 | As a main component | in stock |
| P-889878526 | 95 | As a main component | by synthesis |
| P-892289851 | 95 | As a main component | unavailable |
| P-869121617 | 95 | As a main component | 84 mg |
| P-888636224 | 95 | As a main component | 79 mg |
| P-855053103 | 90 | As a main component | in stock |
| P-1271481329 | 95 | As a main component | by synthesis |
| P-868495157 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 275.214 |
| logP | 3.0293 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 6.48 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.062 |
| Atoms | 37 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |

