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UNKNOWN STEREO
MCULE-4627147558-0
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 | 49 USD | 95 | 7 working days | Get Quote |
| 5 mg | 152 USD | 95 | 7 working days | Get Quote |
| 10 mg | 249 USD | 95 | 7 working days | Get Quote |
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1
MCULE-4230201166-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4627147558-0.sdf |
| SMILES | MCULE-4627147558-0.smiles |
| Standard InChI | MCULE-4627147558-0.inchi |
| InChIKey | MCULE-4627147558-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869116034 | 95 | As is | by synthesis |
| P-888631712 | 95 | As is | unavailable |
| P-611506083 | 90 | As is | in stock |
| P-867625202 | 95 | Main component | in stock |
| P-875787724 | N/A | Main component | in stock |
| P-596932896 | 95 | Main component | 500 mg |
| P-864199588 | 95 | Main component | in stock |
| P-901432858 | 95 | Main component | by synthesis |
| P-504618543 | 90 | Main component | by synthesis |
| P-869116033 | 95 | Main component | by synthesis |
| P-892288199 | 95 | Main component | unavailable |
| P-888631711 | 95 | Main component | 200 mg |
| P-886926254 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 447.350 |
| logP | 5.7062 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 81.59 |
| RO5 violations | 1 |
| RO3 violations | 6 |
| Refractivity | 122.9895 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 24 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
