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UNKNOWN STEREO
MCULE-1022001641
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 | 27 USD | 95 | 12 working days | Get Quote |
| 5 mg | 27 USD | 95 | 12 working days | Get Quote |
| 10 mg | 27 USD | 95 | 12 working days | Get Quote |
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1
MCULE-2164538601
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1022001641.sdf |
| SMILES | MCULE-1022001641.smiles |
| Standard InChI | MCULE-1022001641.inchi |
| InChIKey | MCULE-1022001641.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892877858 | 95 | As is | in stock |
| P-890181735 | 95 | As is | in stock |
| P-891658206 | N/A | As is | by synthesis |
| P-888826811 | 95 | As is | 1000 mg |
| P-893233447 | 95 | As is | in stock |
| P-1274328112 | 95 | As is | in stock |
| P-1274332877 | 95 | As is | unavailable |
| P-869124911 | 95 | As is | 23 mg |
| P-888638594 | 95 | As is | 757 mg |
| P-611357564 | 90 | As is | in stock |
| P-1263682644 | N/A | Main component as a main component | by synthesis |
| P-1268581047 | 95 | Main component as a main component | by synthesis |
| P-500388101 | 99 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 199.700 |
| logP | -2.6294 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 88.62 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.8222 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
