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UNKNOWN STEREO
MCULE-2721295479-0
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 | 271 USD | 95 | 9 working days | Get Quote |
| 5 mg | 672 USD | 95 | 9 working days | Get Quote |
| 10 mg | 955 USD | 95 | 9 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2721295479-0.sdf |
| SMILES | MCULE-2721295479-0.smiles |
| Standard InChI | MCULE-2721295479-0.inchi |
| InChIKey | MCULE-2721295479-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867616636 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875777919 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869368647 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851863643 | AmBeed | On request | N/A | As is | by synthesis |
| P-895097240 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
| P-889498190 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-869116508 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892288312 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888632031 | TargetMol | Screening Compounds - stock amount | 95 | As is | 91 mg |
| P-611520635 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 535.554 |
| logP | 4.2081 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 16 |
| PSA | 129.82 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 122.2101 |
| Atoms | 65 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 29 |
| Heteroatoms | 13 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
