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UNKNOWN STEREO
MCULE-3260659448
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 | 285 USD | 95 | 22 working days | Get Quote |
| 5 mg | 1046 USD | 95 | 42 working days | Get Quote |
| 10 mg | 1567 USD | 95 | 42 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3260659448.sdf |
| SMILES | MCULE-3260659448.smiles |
| Standard InChI | MCULE-3260659448.inchi |
| InChIKey | MCULE-3260659448.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627232 | 95 | As is | in stock |
| P-613847462 | 95 | As is | by resynthesis (? - ? days) |
| P-891655474 | N/A | As is | by synthesis |
| P-895099672 | 99 | As is | 5 mg |
| P-889521973 | 95 | As is | by synthesis |
| P-869158806 | 95 | As is | unavailable |
| P-888654529 | 95 | As is | unavailable |
| P-1271622329 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 849.964 |
| logP | 9.9157 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 14 |
| PSA | 163.25 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 241.2989 |
| Atoms | 98 |
| Rings | 8 |
| Heavy atoms | 61 |
| Hydrogen atoms | 37 |
| Heteroatoms | 12 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
