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MCULE-8161657988
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 94 USD | 90 | 8 working days | Get Quote |
| 10 mg | 176 USD | 90 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8161657988.sdf |
| SMILES | MCULE-8161657988.smiles |
| Standard InChI | MCULE-8161657988.inchi |
| InChIKey | MCULE-8161657988.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886818061 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890094433 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-874640179 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-889347674 | FluoroChem | General BB | 98 | As is | in stock |
| P-854881045 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-22494218 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 200 mg |
| P-893745689 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893805745 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.226 |
| logP | 0.6533 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 154.32 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 52.7327 |
| Atoms | 30 |
| Rings | 0 |
| Heavy atoms | 15 |
| Hydrogen atoms | 15 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
