![[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone structure](/static/products/6810/681007-04-5.webp)
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone
TL;DR: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone (CAS 681007-04-5) is a chemical compound with molecular formula C21H20F4N2O4 and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone
Also Known As: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone, 3,5-bis(difluoromethyl)-1-{4-[(4-ethoxyphenoxy)methyl]benzoyl}-4,5-dihydro-1H-pyrazol-5-ol, [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{4-[(4-ethoxyphenoxy)methyl]phenyl}methanone
| Molecular Formula | C21H20F4N2O4 |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 4.085 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.13593 |
| Heavy Atoms | 31 |
| Complexity | 935.4008 |
Chemical Identifiers
| CAS Number | 681007-04-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3C(CC(=N3)C(F)F)(C(F)F)O |
Product Overview
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone (CAS 681007-04-5), with molecular formula C21H20F4N2O4 and molecular weight 440.14 g/mol. IUPAC: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone.
Chemical Property Profile of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone
Property Insights of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone
The XLogP value of 4.085 indicates that [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone. Following Lipinski's Rule of Five, [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone has 1 hydrogen bond donor(s) and 5 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 [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone?
The CAS number of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone is 681007-04-5.
What is the molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone?
The molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone is C21H20F4N2O4.
What is the molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone?
The molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone is 440.14 g/mol.
Where can I buy [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone?
You can request a quote for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[4-[(4-ethoxyphenoxy)methyl]phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.