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MCULE-6543459162-1
Structure
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- InChIKey:
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- InChI:
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| 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 | 79 USD | 90 | 22 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 149 USD | 90 | 17 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-6543459162-1.sdf |
| SMILES | MCULE-6543459162-1.smiles |
| Standard InChI | MCULE-6543459162-1.inchi |
| InChIKey | MCULE-6543459162-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893077717 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-5778875 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 20 mg |
| P-449434795 | ChemDiv | New Chemistry Library | 90 | As is | 29 mg |
| P-502743422 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12731029 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-454131965 | Specs | Screening Compounds | 90 | As is | 2 mg |
| P-33457082 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.420 |
| logP | 5.4984 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 83.37 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 101.4682 |
| Atoms | 41 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
