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MCULE-5786116593
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 | 70 USD | 90 | 8 working days | Get Quote |
| 5 mg | 117 USD | 90 | 8 working days | Get Quote |
| 10 mg | 130 USD | 90 | 27 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5786116593.sdf |
| SMILES | MCULE-5786116593.smiles |
| Standard InChI | MCULE-5786116593.inchi |
| InChIKey | MCULE-5786116593.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892877251 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-890181071 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-888826636 | Angene | Building Blocks in stock | 98 | As is | 5 mg |
| P-878210137 | Key Organics | Building Blocks | 95 | As is | 5 mg |
| P-888694234 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33162197 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 101 mg |
| P-894002273 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 446.403 |
| logP | 0.3529 |
| H-bond acceptors | 10 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 159.05 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 110.5802 |
| Atoms | 54 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 22 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 5 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
