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MCULE-8485727230
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 | 95 | 15 working days | Get Quote |
| 5 mg | 74 USD | 90 | 19 working days | Get Quote |
| 10 mg | 93 USD | 90 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8485727230.sdf |
| SMILES | MCULE-8485727230.smiles |
| Standard InChI | MCULE-8485727230.inchi |
| InChIKey | MCULE-8485727230.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885951301 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-4925581 | ChemBridge | EXPRESS-Pick Collection | 90 | As an isomer | 5 mg |
| P-502453337 | Innovapharm | Virtual Building Blocks | 95 | As an isomer | by synthesis |
| P-502805212 | Innovapharm | Screening Compounds | 90 | As an isomer | in stock |
| P-492215658 | Innovapharm | Building Blocks | 95 | As an isomer | in stock |
| P-13446984 | InterBioScreen | Screening Compounds | 95 | As an isomer | 300 mg |
| P-14187937 | Life Chemicals | Screening Compounds | 90 | As an isomer | in stock |
| P-12286882 | Otava | In-House Stock Library | 90 | As an isomer | 78 mg |
| P-519786939 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-502351424 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
| P-503073 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 119 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 299.299 |
| logP | 2.9361 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 70.23 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 87.6081 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
