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MCULE-4561730823
Compound
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- 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 | 24 USD | 92 | 18 working days | Get Quote |
| 5 mg | 38 USD | 92 | 18 working days | Get Quote |
| 10 mg | 47 USD | 92 | 18 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4561730823.sdf |
| SMILES | MCULE-4561730823.smiles |
| Standard InChI | MCULE-4561730823.inchi |
| InChIKey | MCULE-4561730823.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893002325 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-449251722 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
| P-502895861 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-13364860 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-12725688 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-864666373 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-19032518 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-902595722 | Specs | Natural Products | 80 | As is | 17 mg |
| P-13047709 | Specs | Screening Compounds | 90 | As is | 17 mg |
| P-2657921 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 215 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 395.422 |
| logP | 4.2303 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 59.75 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.9065 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
