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MCULE-4033193601-0
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.
|
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 | 287 USD | 98 | 9 working days | Get Quote |
| 5 mg | 287 USD | 98 | 9 working days | Get Quote |
| 10 mg | 287 USD | 98 | 9 working days | Get Quote |
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1
MCULE-2856223740-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4033193601-0.sdf |
| SMILES | MCULE-4033193601-0.smiles |
| Standard InChI | MCULE-4033193601-0.inchi |
| InChIKey | MCULE-4033193601-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505572502 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-854949134 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-489191965 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 475.573 |
| logP | 3.2188 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 10 |
| PSA | 138.53 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 131.4452 |
| Atoms | 71 |
| Rings | 2 |
| Heavy atoms | 34 |
| Hydrogen atoms | 37 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 1 |
| 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 |
