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MCULE-5620096379-2
Structure
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- InChIKey:
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| 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 | 319 USD | N/A | 26 working days | Get Quote |
| 5 mg | 354 USD | N/A | 26 working days | Get Quote |
| 10 mg | 379 USD | N/A | 26 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5620096379-2.sdf |
| SMILES | MCULE-5620096379-2.smiles |
| Standard InChI | MCULE-5620096379-2.inchi |
| InChIKey | MCULE-5620096379-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886298560 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-502644409 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-33830117 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 340.398 |
| logP | 3.9296 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 96.22 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 100.7517 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
