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UNKNOWN STEREO
MCULE-8771095331-1
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.
|
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 | 39 USD | 95 | 9 working days | Get Quote |
| 5 mg | 59 USD | 95 | 9 working days | Get Quote |
| 10 mg | 95 USD | 95 | 9 working days | Get Quote |
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MCULE-4442823912-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8771095331-1.sdf |
| SMILES | MCULE-8771095331-1.smiles |
| Standard InChI | MCULE-8771095331-1.inchi |
| InChIKey | MCULE-8771095331-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-891661203 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-864181441 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-675214413 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| P-892245208 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892293611 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
| P-892332285 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 448.371 |
| logP | 2.4014 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 103.7 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 105.2372 |
| Atoms | 49 |
| Rings | 5 |
| Heavy atoms | 32 |
| Hydrogen atoms | 17 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
