![1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone structure](/static/products/5128/512816-52-3.webp)
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone
TL;DR: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone (CAS 512816-52-3) is a chemical compound with molecular formula C12H13BrF4N4O2 and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone, 1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-[3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-ETHANONE, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone
| Molecular Formula | C12H13BrF4N4O2 |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 2.06954 |
| Topological Polar Surface Area | 70.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0158 |
| Heavy Atoms | 23 |
| Complexity | 663.731 |
Chemical Identifiers
| CAS Number | 512816-52-3 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)C)Br |
Product Overview
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone (CAS 512816-52-3), with molecular formula C12H13BrF4N4O2 and molecular weight 400.02 g/mol. IUPAC: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone.
Chemical Property Profile of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone
Property Insights of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone
The XLogP value of 2.06954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone. The TPSA of 70.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone?
The CAS number of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone is 512816-52-3.
What is the molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone?
The molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone is C12H13BrF4N4O2.
What is the molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone?
The molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone is 400.02 g/mol.
Where can I buy 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone?
You can request a quote for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.