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UNKNOWN STEREO
MCULE-4879733460-0
Structure
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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 | 166 USD | 100 | 8 working days | Get Quote |
| 5 mg | 324 USD | 100 | 8 working days | Get Quote |
| 10 mg | 648 USD | 100 | 8 working days | Get Quote |
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MCULE-5839101971-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4879733460-0.sdf |
| SMILES | MCULE-4879733460-0.smiles |
| Standard InChI | MCULE-4879733460-0.inchi |
| InChIKey | MCULE-4879733460-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890157539 | 100 | As a main component | in stock |
| P-894679743 | 95 | As a main component | by resynthesis (? - ? days) |
| P-891663426 | N/A | As a main component | by synthesis |
| P-895100379 | N/A | As a main component | 10 mg |
| P-868544383 | 100 | As a main component | in stock |
| P-901453965 | 95 | As a main component | by synthesis |
| P-869109288 | 95 | As a main component | unavailable |
| P-888627966 | 95 | As a main component | unavailable |
| P-611491669 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 616.612 |
| logP | 6.468 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 47.1 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 158.011 |
| Atoms | 78 |
| Rings | 4 |
| Heavy atoms | 43 |
| Hydrogen atoms | 35 |
| Heteroatoms | 13 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 7 |
| 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 |
