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MCULE-4387968961
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 | 55 USD | 95 | 22 working days | Get Quote |
| 5 mg | 55 USD | 95 | 22 working days | Get Quote |
| 10 mg | 55 USD | 95 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4387968961.sdf |
| SMILES | MCULE-4387968961.smiles |
| Standard InChI | MCULE-4387968961.inchi |
| InChIKey | MCULE-4387968961.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867623100 | 95 | As is | in stock |
| P-1275161402 | N/A | As is | in stock |
| P-851950847 | N/A | As is | in stock |
| P-619200033 | 98 | As is | 1000 g |
| P-1274803151 | 95 | As is | by resynthesis (? - ? days) |
| P-873288151 | 95 | As is | in stock |
| P-901563345 | 95 | As is | by synthesis |
| P-870660333 | N/A | As is | in stock |
| P-596581700 | 97 | As is | 1 mg |
| P-889864655 | 95 | As is | by synthesis |
| P-869160352 | 95 | As is | unavailable |
| P-888655661 | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 620.985 |
| logP | 11.5087 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 36 |
| PSA | 72.83 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 192.3708 |
| Atoms | 116 |
| Rings | 0 |
| Heavy atoms | 44 |
| Hydrogen atoms | 72 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
