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UNKNOWN STEREO
MCULE-1969792742
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 | 53 USD | 95 | 16 working days | Get Quote |
| 5 mg | 246 USD | 95 | 16 working days | Get Quote |
| 10 mg | 465 USD | 95 | 16 working days | Get Quote |
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MCULE-2498333913
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1969792742.sdf |
| SMILES | MCULE-1969792742.smiles |
| Standard InChI | MCULE-1969792742.inchi |
| InChIKey | MCULE-1969792742.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867632975 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-613854078 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-596985353 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
| P-855050500 | Toronto Research | In stock | 90 | As is | in stock |
| P-855245814 | Toronto Research | In stock | 90 | As is | in stock |
| P-886961854 | eNovation Chemicals LLC | Building Block on demand | 98 | As is | by synthesis |
| P-613851595 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-580450857 | CliniSciences S.A.S | All products | 99 | As a main component | in stock |
| P-888628975 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869110841 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-868506827 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 709.003 |
| logP | 7.7996 |
| H-bond acceptors | 9 |
| H-bond donors | 5 |
| Rotatable bonds | 22 |
| PSA | 153.75 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 203.3 |
| Atoms | 122 |
| Rings | 2 |
| Heavy atoms | 50 |
| Hydrogen atoms | 72 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 14 |
| R/S chiral centers | 14 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
