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MCULE-3348811047-0
Structure
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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 | 95 USD | 95 | 14 working days | Get Quote |
| 5 mg | 95 USD | 95 | 14 working days | Get Quote |
| 10 mg | 143 USD | 95 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3348811047-0.sdf |
| SMILES | MCULE-3348811047-0.smiles |
| Standard InChI | MCULE-3348811047-0.inchi |
| InChIKey | MCULE-3348811047-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893184472 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-580358382 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-895181020 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-892256208 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892340139 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 377.260 |
| logP | 3.9871 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 49.41 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.6557 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
