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MCULE-9522193421
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 | 45 USD | 90 | 21 working days | Get Quote |
| 5 mg | 72 USD | 90 | 21 working days | Get Quote |
| 10 mg | 86 USD | 90 | 21 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-9522193421.sdf |
| SMILES | MCULE-9522193421.smiles |
| Standard InChI | MCULE-9522193421.inchi |
| InChIKey | MCULE-9522193421.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892981136 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-577134274 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-580308356 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-492232735 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-613341976 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-870989380 | Otava | In-House Stock Library | 90 | As is | 170 mg |
| P-519877000 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-519877339 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873233438 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.235 |
| logP | 2.1662 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 55.24 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.949 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
