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MCULE-4837195592
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 | 171 USD | 98 | 20 working days | Get Quote |
| 5 mg | 286 USD | 95 | 19 working days | Get Quote |
| 10 mg | 286 USD | 95 | 19 working days | Get Quote |
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MCULE-8914258875
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4837195592.sdf |
| SMILES | MCULE-4837195592.smiles |
| Standard InChI | MCULE-4837195592.inchi |
| InChIKey | MCULE-4837195592.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867302214 | A2B Chem | Predominantly Building Block on demand | 98 | As a main component | by synthesis |
| P-874655240 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-505394584 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-881102212 | Angene | Building Blocks in stock | 98 | As a main component | 10 mg |
| P-875885508 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-524166719 | Key Organics | Building Blocks | 95 | As a main component | 10 mg |
| P-888643673 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869133761 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 413.891 |
| logP | 4.1984 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 77.84 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 116.4816 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
