![1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone structure](/static/products/4382/438235-62-2.webp)
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone
TL;DR: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone (CAS 438235-62-2) is a chemical compound with molecular formula C13H11F4N3O5 and molecular weight 365.06 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-nitrophenoxy)ethanone
Also Known As: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone, 3,5-bis(difluoromethyl)-1-({4-nitrophenoxy}acetyl)-4,5-dihydro-1H-pyrazol-5-ol, 1-[3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-(4-NITROPHENOXY)-1-ETHANONE, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone
| Molecular Formula | C13H11F4N3O5 |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | 1.7807 |
| Topological Polar Surface Area | 105.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.06348 |
| Heavy Atoms | 25 |
| Complexity | 697.4098 |
Chemical Identifiers
| CAS Number | 438235-62-2 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)F)O)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(F)F |
Product Overview
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone (CAS 438235-62-2), with molecular formula C13H11F4N3O5 and molecular weight 365.06 g/mol. IUPAC: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone.
Chemical Property Profile of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone
Property Insights of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone
The XLogP value of 1.7807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone. The TPSA of 105.27 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-nitrophenoxy)ethanone. Following Lipinski's Rule of Five, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone has 1 hydrogen bond donor(s) and 6 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-nitrophenoxy)ethanone?
The CAS number of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone is 438235-62-2.
What is the molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone?
The molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone is C13H11F4N3O5.
What is the molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone?
The molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone is 365.06 g/mol.
Where can I buy 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone?
You can request a quote for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)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-nitrophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(4-nitrophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.