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UNKNOWN STEREO
MCULE-3807121947
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 | 91 USD | 95 | 7 working days | Get Quote |
| 5 mg | 227 USD | 98 | 22 working days | Get Quote |
| 10 mg | 342 USD | 98 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-6722828316
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3807121947.sdf |
| SMILES | MCULE-3807121947.smiles |
| Standard InChI | MCULE-3807121947.inchi |
| InChIKey | MCULE-3807121947.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867410598 | 98 | Main component | by synthesis |
| P-1265826215 | 98 | Main component | in stock |
| P-853429419 | 98 | Main component | in stock |
| P-864220162 | 95 | Main component | by synthesis |
| P-867646139 | 98 | Main component as a main component | in stock |
| P-875813679 | 98 | Main component as a main component | in stock |
| P-875902344 | N/A | Main component as a main component | by synthesis |
| P-895102458 | N/A | Main component as a main component | 50 mg |
| P-889497597 | 95 | Main component as a main component | by synthesis |
| P-869110930 | 95 | Main component as a main component | by synthesis |
| P-888629028 | 95 | Main component as a main component | 8 mg |
| P-855351174 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 502.086 |
| logP | 5.0122 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 84.83 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 151.3544 |
| Atoms | 75 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 40 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
