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MCULE-6747190491-1
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.
|
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 | 130 USD | 90 | 27 working days | Get Quote |
| 5 mg | 130 USD | 90 | 27 working days | Get Quote |
| 10 mg | 130 USD | 90 | 27 working days | Get Quote |
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1
MCULE-3203063171-1
- Component type: Main
-
1
MCULE-6692975244-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6747190491-1.sdf |
| SMILES | MCULE-6747190491-1.smiles |
| Standard InChI | MCULE-6747190491-1.inchi |
| InChIKey | MCULE-6747190491-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-896153951 | Specs | Screening Compounds | 90 | As is | 13 mg |
| P-894583564 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-872977747 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 10 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 417.498 |
| logP | 3.52278 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 125.88 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.5712 |
| Atoms | 61 |
| Rings | 2 |
| Heavy atoms | 30 |
| Hydrogen atoms | 31 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
