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MCULE-3307483403
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.
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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 | 1112 USD | 90 | 22 working days | Get Quote |
| 5 mg | 1112 USD | 90 | 22 working days | Get Quote |
| 10 mg | 1112 USD | 90 | 22 working days | Get Quote |
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MCULE-9151705124
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3307483403.sdf |
| SMILES | MCULE-3307483403.smiles |
| Standard InChI | MCULE-3307483403.inchi |
| InChIKey | MCULE-3307483403.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-888171724 | 98 | As is | by synthesis |
| P-1274453918 | 90 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1651.808 |
| logP | 1.1378 |
| H-bond acceptors | 43 |
| H-bond donors | 24 |
| Rotatable bonds | 70 |
| PSA | 720.62 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 408.3587 |
| Atoms | 234 |
| Rings | 1 |
| Heavy atoms | 116 |
| Hydrogen atoms | 118 |
| Heteroatoms | 43 |
| N/O atoms | 43 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 17 |
| R/S chiral centers | 17 |
| 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 |
