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MCULE-9411313631
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 | 66 USD | 95 | 10 working days | Get Quote |
| 5 mg | 81 USD | 95 | 22 working days | Get Quote |
| 10 mg | 81 USD | 95 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9411313631.sdf |
| SMILES | MCULE-9411313631.smiles |
| Standard InChI | MCULE-9411313631.inchi |
| InChIKey | MCULE-9411313631.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886569089 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-852125567 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-615730617 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-869229411 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-864219737 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-862091275 | FluoroChem | General BB | 95 | As is | in stock |
| P-454381255 | Key Organics | Building Blocks | 95 | As is | 29.021 g |
| P-18791267 | Key Organics | Screening Compounds and Fragments | 95 | As is | 29.021 g |
| P-35178727 | Maybridge | Screening Collection | 90 | As is | 330 g |
| P-23343170 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502383997 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611575580 | Toronto Research | In stock | 90 | As is | in stock |
| P-893831533 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 172.187 |
| logP | 1.3701 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 54.46 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.5477 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 | 1 |
| Undefined stereo double bonds | 0 |
