![[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone structure](/static/products/4382/438225-87-7.webp)
[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
TL;DR: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone (CAS 438225-87-7) is a chemical compound with molecular formula C20H17F2N3O2S and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
Also Known As: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone, [5-(difluoromethyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl][2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone, 5-(DIFLUOROMETHYL)-3-METHYL-1-[2-(5-METHYLTHIOPHEN-2-YL)QUINOLINE-4-CARBONYL]-4,5-DIHYDRO-1H-PYRAZOL-5-OL, 5-(difluoromethyl)-3-methyl-1-{[2-(5-methyl-2-thienyl)-4-quinolinyl]carbonyl}-4,5-dihydro-1H-pyrazol-5-ol, 5-(difluoromethyl)-5-hydroxy-3-methyl(2-pyrazolinyl) 2-(5-methyl(2-thienyl))(4 -quinolyl) ketone
| Molecular Formula | C20H17F2N3O2S |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.44722 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.10095 |
| Heavy Atoms | 28 |
| Complexity | 1111.7788 |
Chemical Identifiers
| CAS Number | 438225-87-7 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)F)O)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)C |
Product Overview
[5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone (CAS 438225-87-7), with molecular formula C20H17F2N3O2S and molecular weight 401.10 g/mol. IUPAC: [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone.
Chemical Property Profile of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
Property Insights of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone
The XLogP value of 4.44722 indicates that [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.79 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone. Following Lipinski's Rule of Five, [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]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 [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The CAS number of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is 438225-87-7.
What is the molecular formula of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The molecular formula of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is C20H17F2N3O2S.
What is the molecular weight of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
The molecular weight of [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone is 401.10 g/mol.
Where can I buy [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
You can request a quote for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]-[2-(5-methylthiophen-2-yl)quinolin-4-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.