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MCULE-3631476651
Compound
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- 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 | 29 USD | 95 | 12 working days | Get Quote |
| 5 mg | 38 USD | 98 | 22 working days | Get Quote |
| 10 mg | 55 USD | 98 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3631476651.sdf |
| SMILES | MCULE-3631476651.smiles |
| Standard InChI | MCULE-3631476651.inchi |
| InChIKey | MCULE-3631476651.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611993 | N/A | As is | in stock |
| P-613847252 | 95 | As is | by resynthesis (? - ? days) |
| P-893606502 | 90 | As is | 1.237 g |
| P-895096384 | N/A | As is | 1000 mg |
| P-1273266014 | 95 | As is | by resynthesis (? - ? days) |
| P-888621877 | 95 | As is | 5 mg |
| P-888173948 | 98 | As is | by synthesis |
| P-892291283 | 95 | As is | unavailable |
| P-869127066 | 95 | As is | 6.86 g |
| P-888640262 | 95 | As is | 6.756 g |
| P-1271624226 | 100 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 440.660 |
| logP | 7.9606 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 19 |
| PSA | 65.12 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 139.1484 |
| Atoms | 76 |
| Rings | 2 |
| Heavy atoms | 32 |
| Hydrogen atoms | 44 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
