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MCULE-6507052731
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 | 17 USD | 98 | 14 working days | Get Quote |
| 5 mg | 29 USD | 98 | 14 working days | Get Quote |
| 10 mg | 50 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-6507052731.sdf |
| SMILES | MCULE-6507052731.smiles |
| Standard InChI | MCULE-6507052731.inchi |
| InChIKey | MCULE-6507052731.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903059459 | 98 | As is | 500 mg |
| P-893442414 | 90 | As is | 3.213 g |
| P-489198459 | 97 | As is | in stock |
| P-590622174 | 98 | As is | 5 mg |
| P-851249185 | 95 | As is | by synthesis |
| P-861336689 | 98 | As is | by synthesis |
| P-852522987 | N/A | As is | in stock |
| P-854720530 | 95 | As is | in stock |
| P-474022870 | 95 | As is | in stock |
| P-608277236 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 413.277 |
| logP | 1.9724 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 11 |
| PSA | 131.78 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 114.4233 |
| Atoms | 58 |
| Rings | 2 |
| Heavy atoms | 30 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
