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MCULE-8546064604
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 | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8546064604.sdf |
| SMILES | MCULE-8546064604.smiles |
| Standard InChI | MCULE-8546064604.inchi |
| InChIKey | MCULE-8546064604.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-34884406 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-870660646 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-855983480 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-31194864 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-19628281 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885518779 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-888497285 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-893965460 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.267 |
| logP | 1.2369 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 92.42 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.9239 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
