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MCULE-3764473965
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 | 77 USD | 98 | 19 working days | Get Quote |
| 5 mg | 77 USD | 98 | 19 working days | Get Quote |
| 10 mg | 149 USD | 98 | 19 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3764473965.sdf |
| SMILES | MCULE-3764473965.smiles |
| Standard InChI | MCULE-3764473965.inchi |
| InChIKey | MCULE-3764473965.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505388785 | AK Scientific | Building Blocks | 98 | As an isomer | in stock |
| P-864264045 | AstaTech | Backordered BBs | 98 | As an isomer | by synthesis |
| P-860798935 | Chiralstar | Chiralstar Building Blocks | 98 | As an isomer | in stock |
| P-555283214 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-888640783 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869127862 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 305.754 |
| logP | 3.0632 |
| H-bond acceptors | 4 |
| H-bond donors | 4 |
| Rotatable bonds | 1 |
| PSA | 72.72 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 86.1567 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
