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MCULE-5391010049
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.
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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.
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|---|---|---|---|---|
| 1 mg | 164 USD | 90 | 8 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5391010049.sdf |
| SMILES | MCULE-5391010049.smiles |
| Standard InChI | MCULE-5391010049.inchi |
| InChIKey | MCULE-5391010049.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892978688 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-596435528 | Asinex | General screening catalog | 90 | As is | unavailable |
| P-492215095 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502683555 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502459544 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503167896 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502351041 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-23212385 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 3 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 203.237 |
| logP | 1.9977 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 61.6375 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
