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UNKNOWN STEREO
MCULE-1754653372
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 | 488 USD | 80 | 9 working days | Get Quote |
| 5 mg | 488 USD | 80 | 9 working days | Get Quote |
| 10 mg | 952 USD | 95 | 17 working days | Get Quote |
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MCULE-7917815877
- Component type: Main
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MCULE-8831631972
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1754653372.sdf |
| SMILES | MCULE-1754653372.smiles |
| Standard InChI | MCULE-1754653372.inchi |
| InChIKey | MCULE-1754653372.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275491391 | 95 | As is | in stock |
| P-893236723 | 95 | As is | in stock |
| P-675218159 | 95 | As is | in stock |
| P-1274328418 | 95 | As is | in stock |
| P-869160871 | 95 | As is | unavailable |
| P-888656096 | 95 | As is | unavailable |
| P-855344137 | 90 | As is | in stock |
| P-892910816 | N/A | As a main component | by synthesis |
| P-901203926 | N/A | As a main component | by synthesis |
| P-896086128 | 80 | As a main component | 9 mg |
| P-611526541 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 329.389 |
| logP | 2.8246 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 62.16 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 97.009 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
