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MCULE-9212474939
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 | 44 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 90 | 21 working days | Get Quote |
| 10 mg | 85 USD | 90 | 21 working days | Get Quote |
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1
MCULE-6835413162
- Component type: Main
-
2
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9212474939.sdf |
| SMILES | MCULE-9212474939.smiles |
| Standard InChI | MCULE-9212474939.inchi |
| InChIKey | MCULE-9212474939.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-13131711 | Otava | In-House Stock Library | 90 | Main component | 100 mg |
| P-892440811 | Asinex | General screening catalog | 90 | Main component as a main component | 107 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 528.128 |
| logP | 7.3787 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 94.29 |
| RO5 violations | 2 |
| RO3 violations | 3 |
| Refractivity | 110.4757 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
