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MCULE-1736058220
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 | 44 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 90 | 21 working days | Get Quote |
| 10 mg | 85 USD | 90 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-1736058220.sdf |
| SMILES | MCULE-1736058220.smiles |
| Standard InChI | MCULE-1736058220.inchi |
| InChIKey | MCULE-1736058220.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-628971021 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-12860968 | Otava | In-House Stock Library | 90 | As is | 1.328 g |
| P-617699598 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 1.328 g |
| P-23545058 | Specs | Screening Compounds | 90 | As is | 22 mg |
| P-22521657 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 35 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 406.056 |
| logP | 2.4137 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 115.36 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 80.5387 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 6 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
