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MCULE-4912226864-0
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 | 194 USD | 97 | 27 working days | Get Quote |
| 5 mg | 194 USD | 97 | 27 working days | Get Quote |
| 10 mg | 194 USD | 97 | 27 working days | Get Quote |
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1
MCULE-6309209616-0
- Component type: Main
-
1
MCULE-1336748609-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4912226864-0.sdf |
| SMILES | MCULE-4912226864-0.smiles |
| Standard InChI | MCULE-4912226864-0.inchi |
| InChIKey | MCULE-4912226864-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852187181 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-611416660 | Toronto Research | In stock | 90 | As is | in stock |
| P-611522887 | Toronto Research | In stock | 90 | As is | in stock |
| P-867454780 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-524182151 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
| P-895856833 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 392.532 |
| logP | 5.2041 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 103.86 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 117.292 |
| Atoms | 64 |
| Rings | 2 |
| Heavy atoms | 28 |
| Hydrogen atoms | 36 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
