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UNKNOWN STEREO
MCULE-4620415947
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 54 USD | 90 | 23 working days | Get Quote |
| 10 mg | 67 USD | 90 | 23 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-4620415947.sdf |
| SMILES | MCULE-4620415947.smiles |
| Standard InChI | MCULE-4620415947.inchi |
| InChIKey | MCULE-4620415947.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-868544306 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
| P-577214138 | ChemDiv | Discovery Chemistry Library | 90 | As is | 19 mg |
| P-428630141 | Eximed | In-stock screening compounds | 90 | As is | 10.41 g |
| P-505515199 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-580041889 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492241697 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-881183980 | Otava | In-House Stock Library | 90 | As is | 10.41 g |
| P-500399364 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-611415441 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 159.226 |
| logP | 1.7824 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.0492 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 17 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
