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MCULE-1831675591
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.
|
|
|---|---|---|---|---|
| 1 mg | 1040 USD | 95 | 32 working days | Get Quote |
| 5 mg | 1040 USD | 95 | 32 working days | Get Quote |
| 10 mg | 1040 USD | 95 | 32 working days | Get Quote |
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MCULE-9748410733
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1831675591.sdf |
| SMILES | MCULE-1831675591.smiles |
| Standard InChI | MCULE-1831675591.inchi |
| InChIKey | MCULE-1831675591.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852183074 | A2B Chem | Predominantly Building Block on demand | 97 | As a main component | by synthesis |
| P-851307202 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-580340717 | Debye Scientific | General Catalog | 95 | As a main component | by resynthesis (? - ? days) |
| P-886954491 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 302.137 |
| logP | 3.59 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 78.11 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.8061 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
