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MCULE-1746030046
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.
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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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
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1
MCULE-4531931877
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1746030046.sdf |
| SMILES | MCULE-1746030046.smiles |
| Standard InChI | MCULE-1746030046.inchi |
| InChIKey | MCULE-1746030046.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-625389395 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-18928837 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-442548 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 73 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 447.260 |
| logP | 4.1029 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 153.9 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 99.2926 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 15 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| 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 |
