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MCULE-9427261038
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 | 37 USD | 95 | 9 working days | Get Quote |
| 5 mg | 73 USD | 95 | 9 working days | Get Quote |
| 10 mg | 95 USD | 95 | 9 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9427261038.sdf |
| SMILES | MCULE-9427261038.smiles |
| Standard InChI | MCULE-9427261038.inchi |
| InChIKey | MCULE-9427261038.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867673298 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-505401400 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-891653108 | AmBeed | On request | N/A | As is | by synthesis |
| P-895104445 | Angene | Building Blocks in stock | N/A | As is | 200 mg |
| P-864319571 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-524166815 | Key Organics | Building Blocks | 95 | As is | 10 mg |
| P-14067269 | Life Chemicals | Screening Compounds | 90 | As is | 4.852 g |
| P-14074801 | Life Chemicals | Screening Compounds | 90 | As is | 2 mg |
| P-869132735 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892292085 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888643236 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 425.863 |
| logP | 5.6209 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 78.61 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 124.4729 |
| Atoms | 47 |
| Rings | 5 |
| Heavy atoms | 31 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 1 |
| Undefined stereo double bonds | 0 |
