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UNKNOWN STEREO
MCULE-4029597204
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.
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|---|---|---|---|---|
| 1 mg | 222 USD | 98 | 16 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4029597204.sdf |
| SMILES | MCULE-4029597204.smiles |
| Standard InChI | MCULE-4029597204.inchi |
| InChIKey | MCULE-4029597204.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867633792 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875798146 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869321036 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-888638461 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869124753 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611516952 | Toronto Research | In stock | 90 | As is | in stock |
| P-855008021 | Toronto Research | In stock | 90 | As is | in stock |
| P-855008022 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 266.333 |
| logP | 3.9444 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 80.457 |
| Atoms | 38 |
| Rings | 4 |
| Heavy atoms | 20 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
