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UNKNOWN STEREO
MCULE-8961028861
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 | 36 USD | 95 | 7 working days | Get Quote |
| 5 mg | 36 USD | 95 | 7 working days | Get Quote |
| 10 mg | 59 USD | 95 | 7 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-2407367590
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8961028861.sdf |
| SMILES | MCULE-8961028861.smiles |
| Standard InChI | MCULE-8961028861.inchi |
| InChIKey | MCULE-8961028861.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892258598 | 95 | As is | by synthesis |
| P-892341288 | 95 | As is | unavailable |
| P-867593238 | 98 | Main component | in stock |
| P-875752170 | N/A | Main component | in stock |
| P-505354086 | 98 | Main component | in stock |
| P-596992921 | 98 | Main component | 5 g |
| P-580195348 | 98 | Main component | in stock |
| P-864179001 | 95 | Main component | in stock |
| P-893237914 | 95 | Main component | in stock |
| P-580452365 | 98 | Main component | in stock |
| P-524442993 | 97 | Main component | 441 mg |
| P-869161503 | 95 | Main component | by synthesis |
| P-892295866 | 95 | Main component | unavailable |
| P-888656772 | 95 | Main component | 187 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 466.996 |
| logP | 3.9041 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 95.94 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 128.7335 |
| Atoms | 67 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 35 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
