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MCULE-3959045859-0
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 | 120 USD | 98 | 14 working days | Get Quote |
| 5 mg | 182 USD | 95 | 14 working days | Get Quote |
| 10 mg | 282 USD | 95 | 14 working days | Get Quote |
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1
MCULE-5656172405-0
- Component type: Main
-
1
MCULE-5852208511-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3959045859-0.sdf |
| SMILES | MCULE-3959045859-0.smiles |
| Standard InChI | MCULE-3959045859-0.inchi |
| InChIKey | MCULE-3959045859-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489207990 | 97 | As is | in stock |
| P-851297211 | 95 | As is | by synthesis |
| P-500142052 | 98 | As is | in stock |
| P-901025390 | 95 | As is | by synthesis |
| P-899990547 | 95 | Main component | by synthesis |
| P-903162631 | 98 | Main component as a main component | 200 mg |
| P-893607272 | 90 | Main component as a main component | 3.829 g |
| P-590948943 | 95 | Main component as a main component | by synthesis |
| P-851283694 | 95 | Main component as a main component | by synthesis |
| P-887187866 | 95 | Main component as a main component | by synthesis |
| P-854719465 | 95 | Main component as a main component | in stock |
| P-584627231 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 667.715 |
| logP | 3.221 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 156.63 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 177.5139 |
| Atoms | 91 |
| Rings | 4 |
| Heavy atoms | 47 |
| Hydrogen atoms | 44 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 3 |
| R/S chiral centers | 2 |
| 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 |
