MCULE-3044883189
- 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 | 49 USD | 95 | 15 working days | Get Quote |
| 5 mg | 104 USD | 98 | 11 working days | Get Quote |
| 10 mg | 116 USD | N/A | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3044883189.sdf |
| SMILES | MCULE-3044883189.smiles |
| Standard InChI | MCULE-3044883189.inchi |
| InChIKey | MCULE-3044883189.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612431 | N/A | As is | in stock |
| P-875772440 | N/A | As is | in stock |
| P-869271677 | 95 | As is | by resynthesis (? - ? days) |
| P-1264054813 | 99 | As is | in stock |
| P-893523480 | 90 | As is | 241 mg |
| P-875905732 | N/A | As is | in stock |
| P-25942888 | 70 | As is | 17 mg |
| P-865914761 | 95 | As is | 100 mg |
| P-1273257571 | 95 | As is | by resynthesis (? - ? days) |
| P-869389513 | 95 | As is | in stock |
| P-873437675 | 95 | As is | 100 mg |
| P-901464829 | 95 | As is | by synthesis |
| P-578050390 | 98 | As is | in stock |
| P-896633885 | 95 | As is | by synthesis |
| P-887202789 | 95 | As is | by synthesis |
| P-1273138206 | 95 | As is | 150 mg |
| P-488555598 | 92 | As is | in stock |
| P-873244424 | 97 | As is | 1 mg |
| P-854690634 | 95 | As is | in stock |
| P-896630300 | 95 | As is | by synthesis |
| P-888175087 | 98 | As is | by synthesis |
| P-889868645 | 95 | As is | by synthesis |
| P-869179088 | 95 | As is | in stock |
| P-892301093 | 95 | As is | unavailable |
| P-892277176 | 95 | As is | 6 mg |
| P-892353157 | 95 | As is | 7 mg |
| P-855343982 | 90 | As is | in stock |
| P-1271690300 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 342.341 |
| logP | 3.4944 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 67.13 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 93.888 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |

