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MCULE-1289981051-0
Structure
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- InChIKey:
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- InChI:
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| 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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 working days | Get Quote |
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MCULE-4651261754-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1289981051-0.sdf |
| SMILES | MCULE-1289981051-0.smiles |
| Standard InChI | MCULE-1289981051-0.inchi |
| InChIKey | MCULE-1289981051-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-491121147 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892446361 | Asinex | General screening catalog | 90 | As a main component | 3 mg |
| P-5838530 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 50 mg |
| P-617843633 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
| P-674418695 | Pharmeks LLC | Synthetic compounds | 92 | As a main component | 300 mg |
| P-675083177 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
| P-617739185 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 1.228 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 450.711 |
| logP | 3.7741 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 93.78 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 113.9701 |
| Atoms | 44 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 17 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
