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MCULE-4942939208-2
Structure
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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.
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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 | 52 USD | 98 | 17 working days | Get Quote |
| 5 mg | 52 USD | 98 | 17 working days | Get Quote |
| 10 mg | 52 USD | 98 | 17 working days | Get Quote |
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MCULE-3336343500-1
- Component type: Main
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MCULE-9824563386-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4942939208-2.sdf |
| SMILES | MCULE-4942939208-2.smiles |
| Standard InChI | MCULE-4942939208-2.inchi |
| InChIKey | MCULE-4942939208-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867512232 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-870662764 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
| P-675211255 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-855910205 | Key Organics | Building Blocks | 97 | As a main component | 100 g |
| P-896188199 | Specs | Screening Compounds | 90 | As a main component | 12 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 361.205 |
| logP | -1.1121 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 221.51 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 73.3452 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 12 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
