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UNKNOWN STEREO
MCULE-5455203223-0
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 | 98 | 22 working days | Get Quote |
| 5 mg | 39 USD | 98 | 22 working days | Get Quote |
| 10 mg | 39 USD | 98 | 22 working days | Get Quote |
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1
MCULE-1723145852-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5455203223-0.sdf |
| SMILES | MCULE-5455203223-0.smiles |
| Standard InChI | MCULE-5455203223-0.inchi |
| InChIKey | MCULE-5455203223-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535848 | 98 | As is | in stock |
| P-875690692 | 98 | As is | in stock |
| P-590398756 | 97 | As is | by resynthesis (? - ? days) |
| P-889801064 | 95 | As is | by synthesis |
| P-580293485 | 95 | As is | by resynthesis (? - ? days) |
| P-855029034 | 90 | As is | in stock |
| P-481002066 | 97 | As is | in stock |
| P-867540580 | 95 | Main component | in stock |
| P-875696833 | 95 | Main component | in stock |
| P-894632234 | 95 | Main component | by resynthesis (? - ? days) |
| P-869324637 | 95 | Main component | by resynthesis (? - ? days) |
| P-864261741 | 95 | Main component | by synthesis |
| P-901468587 | 95 | Main component | by synthesis |
| P-481004119 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 193.713 |
| logP | 2.7787 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 46.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 54.0972 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
