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MCULE-4516521708
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 | 89 USD | 95 | 25 working days | Get Quote |
| 5 mg | 89 USD | 95 | 25 working days | Get Quote |
| 10 mg | 89 USD | 95 | 25 working days | Get Quote |
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MCULE-9944708100
- Component type: Main
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MCULE-6412401590
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4516521708.sdf |
| SMILES | MCULE-4516521708.smiles |
| Standard InChI | MCULE-4516521708.inchi |
| InChIKey | MCULE-4516521708.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886726712 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-885973820 | A2B Chem | Predominantly Building Block on demand | 95 | As a main component | by synthesis |
| P-890025012 | AA Blocks | AA Blocks - synthesis | N/A | As a main component | by synthesis |
| P-874614339 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
| P-854903655 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-893765705 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.245 |
| logP | 1.2615 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 81.67 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.3348 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
