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MCULE-4742957527
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4742957527.sdf |
| SMILES | MCULE-4742957527.smiles |
| Standard InChI | MCULE-4742957527.inchi |
| InChIKey | MCULE-4742957527.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-596464136 | 90 | As is | 132 mg |
| P-504699509 | 85 | As is | 5 mg |
| P-584568843 | 90 | As is | 15 mg |
| P-260798 | 90 | As is | 529 mg |
| P-34707075 | 90 | As is | by synthesis |
| P-13499161 | 92 | As is | 258 mg |
| P-13622755 | 92 | As is | 258 mg |
| P-24051971 | 90 | As is | in stock |
| P-520049538 | 90 | As is | in stock |
| P-33449841 | 90 | As is | in stock |
| P-873097148 | 94 | As is | by resynthesis (? - ? days) |
| P-22606588 | 94 | As is | by resynthesis (? - ? days) |
| P-1807441 | 90 | As is | 55 mg |
| P-2368695 | 90 | As is | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 333.433 |
| logP | 2.8258 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 125.45 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 92.8864 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 15 |
| Heteroatoms | 7 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
