![[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone structure](/static/products/5128/512825-07-9.webp)
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone
TL;DR: [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone (CAS 512825-07-9) is a chemical compound with molecular formula C20H17ClF4N2O4 and molecular weight 460.08 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]-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methanone
Also Known As: [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone, [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methanone, 1-{3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C20H17ClF4N2O4 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 4.3483 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.0813 |
| Heavy Atoms | 31 |
| Complexity | 987.64514 |
Chemical Identifiers
| CAS Number | 512825-07-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2C(CC(=N2)C(F)F)(C(F)F)O)COC3=CC=C(C=C3)Cl |
Product Overview
[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone (CAS 512825-07-9), with molecular formula C20H17ClF4N2O4 and molecular weight 460.08 g/mol. IUPAC: [3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methanone.
Chemical Property Profile of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone
Property Insights of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone
The XLogP value of 4.3483 indicates that [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}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-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone. Following Lipinski's Rule of Five, [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}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-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone?
The CAS number of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone is 512825-07-9.
What is the molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone?
The molecular formula of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone is C20H17ClF4N2O4.
What is the molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone?
The molecular weight of [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone is 460.08 g/mol.
Where can I buy [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone?
You can request a quote for [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}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-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone?
Yes, KEHONG BIO provides custom synthesis services for [3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.