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MCULE-1198064861
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 | 351 USD | 95 | 15 working days | Get Quote |
| 5 mg | 351 USD | 95 | 15 working days | Get Quote |
| 10 mg | 351 USD | 95 | 15 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-3123651132
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1198064861.sdf |
| SMILES | MCULE-1198064861.smiles |
| Standard InChI | MCULE-1198064861.inchi |
| InChIKey | MCULE-1198064861.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263154108 | 95 | As is | by synthesis |
| P-590860311 | 98 | Main component | by synthesis |
| P-608495710 | 95 | Main component | in stock |
| P-854699261 | 95 | Main component | by synthesis |
| P-1263157409 | 95 | Main component | by synthesis |
| P-591109227 | 98 | Main component as a main component | by synthesis |
| P-854697734 | 95 | Main component as a main component | by synthesis |
| P-899989695 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 198.691 |
| logP | 2.8972 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 24.92 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 58.5157 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
