MCULE-7810512578
- 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 | 83 USD | 90 | 17 working days | Get Quote |
| 5 mg | 99 USD | 90 | 17 working days | Get Quote |
| 10 mg | 110 USD | 90 | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-7810512578.sdf |
| SMILES | MCULE-7810512578.smiles |
| Standard InChI | MCULE-7810512578.inchi |
| InChIKey | MCULE-7810512578.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867654688 | 95 | As is | in stock |
| P-875822194 | 95 | As is | in stock |
| P-869214959 | 95 | As is | by resynthesis (? - ? days) |
| P-903185129 | 95 | As is | 5 g |
| P-1266977384 | 95 | As is | 10 g |
| P-893559769 | 90 | As is | 85.295 g |
| P-580264441 | 95 | As is | by synthesis |
| P-851574365 | N/A | As is | by synthesis |
| P-888821612 | 95 | As is | 5 g |
| P-1274819373 | 95 | As is | by resynthesis (? - ? days) |
| P-864134986 | 95 | As is | in stock |
| P-901562983 | 95 | As is | by synthesis |
| P-579797567 | 95 | As is | by synthesis |
| P-851260701 | 95 | As is | by synthesis |
| P-861505933 | 95 | As is | by synthesis |
| P-862114288 | 95 | As is | 5 g |
| P-563574373 | 95 | As is | 250 mg |
| P-617174721 | 90 | As is | 787 mg |
| P-895156144 | 92 | As is | 787 mg |
| P-888898768 | N/A | As is | in stock |
| P-611495429 | 90 | As is | in stock |
| P-1271602322 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 308.954 |
| logP | 2.5256 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 39.19 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.0525 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |

