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MCULE-5040365602-1
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 | 24 USD | 92 | 18 working days | Get Quote |
| 5 mg | 38 USD | 92 | 18 working days | Get Quote |
| 10 mg | 47 USD | 92 | 18 working days | Get Quote |
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MCULE-8499478579-0
- Component type: Main
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MCULE-1375031582-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5040365602-1.sdf |
| SMILES | MCULE-5040365602-1.smiles |
| Standard InChI | MCULE-5040365602-1.inchi |
| InChIKey | MCULE-5040365602-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675256532 | Innovapharm | Virtual Building Blocks | 95 | As a main component | by synthesis |
| P-675519761 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-580008955 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-675486031 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-492240671 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
| P-24339859 | InterBioScreen | Screening Compounds | 95 | As a main component | 295 mg |
| P-592667199 | Otava | Virtual BB | 95 | As a main component | by synthesis |
| P-864666901 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 295 mg |
| P-902890006 | Specs | Natural Products | 80 | As a main component | 24 mg |
| P-896302425 | Specs | Screening Compounds | 90 | As a main component | 24 mg |
| P-873218277 | TimTec | Building Block Collection | 90 | As a main component | in stock |
| P-617783813 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 76 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 223.244 |
| logP | 0.9573 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 73.5 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.6388 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
