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MCULE-5180378963
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 | 70 USD | 95 | 37 working days | Get Quote |
| 5 mg | 70 USD | 95 | 37 working days | Get Quote |
| 10 mg | 96 USD | 95 | 37 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5180378963.sdf |
| SMILES | MCULE-5180378963.smiles |
| Standard InChI | MCULE-5180378963.inchi |
| InChIKey | MCULE-5180378963.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-887189454 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-854718555 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474024232 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-851688396 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-889521705 | AstaTech | Backordered BBs | 95 | As an isomer | by synthesis |
| P-888645749 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869138700 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 234.337 |
| logP | 3.2709 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 34.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.4637 |
| Atoms | 39 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 22 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
