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MCULE-3142042333-0
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.
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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 | 37 USD | 99 | 27 working days | Get Quote |
| 5 mg | 37 USD | 99 | 27 working days | Get Quote |
| 10 mg | 37 USD | 99 | 27 working days | Get Quote |
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MCULE-3168532179-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3142042333-0.sdf |
| SMILES | MCULE-3142042333-0.smiles |
| Standard InChI | MCULE-3142042333-0.inchi |
| InChIKey | MCULE-3142042333-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854715224 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-852195187 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-617552280 | AvaChem Scientific | All products | 99 | As an isomer | by synthesis |
| P-861276071 | Chiralstar | Chiralstar Building Blocks | 95 | As an isomer | in stock |
| P-869126620 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-888639956 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | unavailable |
| P-611529808 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-855010208 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-855010203 | Toronto Research | In stock | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 434.519 |
| logP | 4.4775 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 52.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 121.2708 |
| Atoms | 55 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 25 |
| Heteroatoms | 7 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
