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MCULE-4285572431-0
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.
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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.
|
|
|---|---|---|---|---|
| 1 mg | 164 USD | 90 | 8 working days | Get Quote |
| 5 mg | 390 USD | 97 | 24 working days | Get Quote |
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1
MCULE-3696422669-0
- Component type: Main
-
1
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4285572431-0.sdf |
| SMILES | MCULE-4285572431-0.smiles |
| Standard InChI | MCULE-4285572431-0.inchi |
| InChIKey | MCULE-4285572431-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-873252465 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-596707803 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1 mg |
| P-892955690 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 707.837 |
| logP | 3.5066 |
| H-bond acceptors | 13 |
| H-bond donors | 4 |
| Rotatable bonds | 6 |
| PSA | 180.96 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 197.095 |
| Atoms | 95 |
| Rings | 8 |
| Heavy atoms | 50 |
| Hydrogen atoms | 45 |
| Heteroatoms | 14 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 7 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 7 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
