MCULE-3720085742-0
- 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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 working days | Get Quote |
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MCULE-1732695045-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3720085742-0.sdf |
| SMILES | MCULE-3720085742-0.smiles |
| Standard InChI | MCULE-3720085742-0.inchi |
| InChIKey | MCULE-3720085742-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867574339 | 95 | As is | in stock |
| P-875734243 | 96 | As is | in stock |
| P-890252287 | 97 | As is | by synthesis |
| P-1275145303 | 95 | As is | in stock |
| P-1275175259 | 98 | As is | in stock |
| P-903064097 | 97 | As is | 5.91 g |
| P-893481195 | 90 | As is | 387.8 g |
| P-907307859 | 95 | As is | 16.75 g |
| P-1270284426 | 95 | As is | in stock |
| P-675239423 | 95 | As is | in stock |
| P-606939802 | N/A | As is | in stock |
| P-489107470 | 97 | As is | in stock |
| P-596950442 | 96 | As is | 5.91 g |
| P-494349962 | 95 | As is | 660 mg |
| P-864086779 | 95 | As is | in stock |
| P-580696449 | 95 | As is | 43.7 g |
| P-901459609 | 95 | As is | by synthesis |
| P-855881552 | 95 | As is | by synthesis |
| P-868572359 | 98 | As is | in stock |
| P-580281391 | 95 | As is | by resynthesis (? - ? days) |
| P-861951909 | 96 | As is | 47.45 g |
| P-905331442 | 96 | As is | 18.25 g |
| P-502528986 | 95 | As is | by synthesis |
| P-454416390 | 95 | As is | 251 mg |
| P-454349943 | 95 | As is | 251 mg |
| P-579631794 | 98 | As is | by resynthesis (? - ? days) |
| P-580501799 | N/A | As is | by synthesis |
| P-1272596989 | 95 | As is | 25 g |
| P-852520554 | 95 | As is | by synthesis |
| P-854738685 | 95 | As is | in stock |
| P-888867856 | N/A | As is | in stock |
| P-500385534 | 98 | As is | by synthesis |
| P-904098342 | 97 | As is | 85.5 g |
| P-502373082 | 90 | As is | in stock |
| P-906768760 | 98 | As is | by synthesis |
| P-906904259 | 97 | As is | in stock |
| P-611385094 | 90 | As is | in stock |
| P-615650588 | 95 | As is | unavailable |
| P-590456651 | 97 | As is | in stock |
| P-904607474 | 95 | As a main component | by resynthesis (? - ? days) |
| P-591119912 | 95 | As a main component | by synthesis |
| P-895536247 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 132.162 |
| logP | 2.3313 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 41.81 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.7031 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

