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MCULE-3182349979-0
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 | 175 USD | 95 | 14 working days | Get Quote |
| 5 mg | 437 USD | 95 | 14 working days | Get Quote |
| 10 mg | 687 USD | 95 | 14 working days | Get Quote |
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1
MCULE-4189443454-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3182349979-0.sdf |
| SMILES | MCULE-3182349979-0.smiles |
| Standard InChI | MCULE-3182349979-0.inchi |
| InChIKey | MCULE-3182349979-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263334743 | 97 | As is | by synthesis |
| P-896626569 | 95 | As is | by synthesis |
| P-903312054 | N/A | Main component | 10 mg |
| P-904320032 | 90 | Main component | 124 mg |
| P-590929304 | 98 | Main component | by synthesis |
| P-854719592 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 696.299 |
| logP | 6.8426 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 112.57 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 196.7852 |
| Atoms | 94 |
| Rings | 8 |
| Heavy atoms | 48 |
| Hydrogen atoms | 46 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 2 |
| 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 |
