![1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone structure](/static/products/4382/438227-06-6.webp)
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
TL;DR: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone (CAS 438227-06-6) is a chemical compound with molecular formula C13H9Cl3F4N2O3 and molecular weight 421.96 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-(2,4,5-trichlorophenoxy)ethanone
Also Known As: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone, 1-[3,5-bis(difluoromethyl)-5-hydroxy(2-pyrazolinyl)]-2-(2,4,5-trichlorophenoxy )ethan-1-one, 1-[3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-(2,4,5-TRICHLOROPHENOXY)-1-ETHANONE
| Molecular Formula | C13H9Cl3F4N2O3 |
|---|---|
| Molecular Weight | 421.96 g/mol |
| LogP | 3.8327 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.9615 |
| Heavy Atoms | 25 |
| Complexity | 720.0048 |
Chemical Identifiers
| CAS Number | 438227-06-6 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)F)O)C(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)C(F)F |
Product Overview
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone (CAS 438227-06-6), with molecular formula C13H9Cl3F4N2O3 and molecular weight 421.96 g/mol. IUPAC: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone.
Chemical Property Profile of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
Property Insights of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
The XLogP value of 3.8327 indicates that 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone. Following Lipinski's Rule of Five, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)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-(2,4,5-trichlorophenoxy)ethanone?
The CAS number of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone is 438227-06-6.
What is the molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone?
The molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone is C13H9Cl3F4N2O3.
What is the molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone?
The molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone is 421.96 g/mol.
Where can I buy 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone?
You can request a quote for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)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-(2,4,5-trichlorophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.