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UNKNOWN STEREO
MCULE-8044777667-0
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 | 39 USD | 95 | 11 working days | Get Quote |
| 5 mg | 39 USD | 95 | 11 working days | Get Quote |
| 10 mg | 39 USD | 95 | 11 working days | Get Quote |
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1
MCULE-8498315736-0
- Component type: Main
-
1
MCULE-5646000632-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8044777667-0.sdf |
| SMILES | MCULE-8044777667-0.smiles |
| Standard InChI | MCULE-8044777667-0.inchi |
| InChIKey | MCULE-8044777667-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854998231 | Toronto Research | In stock | 90 | As is | in stock |
| P-855060858 | Toronto Research | In stock | 90 | As is | in stock |
| P-606895153 | AmBeed | In stock | N/A | Main component | in stock |
| P-888643911 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869134403 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-868496479 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 375.486 |
| logP | 2.8477 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 12 |
| PSA | 158.26 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 97.7488 |
| Atoms | 54 |
| Rings | 1 |
| Heavy atoms | 25 |
| Hydrogen atoms | 29 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
