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MCULE-4299876936
Compound
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- InChIKey:
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- 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 | 65 USD | 97 | 10 working days | Get Quote |
| 5 mg | 81 USD | 97 | 10 working days | Get Quote |
| 10 mg | 111 USD | 97 | 10 working days | Get Quote |
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MCULE-1891123122
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4299876936.sdf |
| SMILES | MCULE-4299876936.smiles |
| Standard InChI | MCULE-4299876936.inchi |
| InChIKey | MCULE-4299876936.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869242231 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-596582016 | Key Organics | Building Blocks | 97 | As a main component | 250 mg |
| P-855983407 | Key Organics | Building Blocks | 97 | As a main component | 250 mg |
| P-870640965 | Key Organics | Screening Compounds and Fragments | 97 | As a main component | 100 mg |
| P-31194734 | LaboTest | Screening Collection | 90 | As a main component | 100 mg |
| P-885541266 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.288 |
| logP | 1.0736 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 83.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 64.3672 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
