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UNKNOWN STEREO
MCULE-2870882122
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 | 38 USD | 95 | 7 working days | Get Quote |
| 5 mg | 80 USD | 95 | 7 working days | Get Quote |
| 10 mg | 118 USD | 95 | 7 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-2870882122.sdf |
| SMILES | MCULE-2870882122.smiles |
| Standard InChI | MCULE-2870882122.inchi |
| InChIKey | MCULE-2870882122.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867673427 | 95 | As is | in stock |
| P-875847688 | N/A | As is | in stock |
| P-595221024 | 95 | As is | in stock |
| P-851942955 | N/A | As is | in stock |
| P-865928659 | 98 | As is | 500 mg |
| P-869393608 | 95 | As is | in stock |
| P-868544537 | 98 | As is | in stock |
| P-901450944 | 95 | As is | by synthesis |
| P-860797702 | 98 | As is | in stock |
| P-869162114 | 95 | As is | by synthesis |
| P-892297110 | 95 | As is | unavailable |
| P-888657505 | 95 | As is | 128 mg |
| P-855065618 | 90 | As is | in stock |
| P-868492544 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 428.478 |
| logP | 5.8272 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 95.5 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 124.4867 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
