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MCULE-4175445505
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 | 45 USD | 90 | 23 working days | Get Quote |
| 5 mg | 72 USD | 90 | 23 working days | Get Quote |
| 10 mg | 87 USD | 90 | 23 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4175445505.sdf |
| SMILES | MCULE-4175445505.smiles |
| Standard InChI | MCULE-4175445505.inchi |
| InChIKey | MCULE-4175445505.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886414830 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-596413139 | Asinex | General screening catalog | 90 | As is | 33 mg |
| P-6645254 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-14195326 | Life Chemicals | Screening Compounds | 90 | As is | 727 mg |
| P-12839331 | Otava | In-House Stock Library | 90 | As is | 1.088 g |
| P-888361150 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 363.502 |
| logP | 2.7049 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 108.86 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 101.392 |
| Atoms | 45 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
