1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone
TL;DR: 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone (CAS 438482-45-2) is a chemical compound with molecular formula C20H19FN2O2S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-(4-fluorophenoxy)ethanone
Also Known As: AE-641/41201608, 1-{3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-1-yl}-2-(4-fluorophenoxy)ethan-1-one, 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone, F1148-0022, 1-[(4-fluorophenoxy)acetyl]-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole
| Molecular Formula | C20H19FN2O2S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 4.81786 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1151 |
| Heavy Atoms | 26 |
| Complexity | 918.23425 |
Chemical Identifiers
| CAS Number | 438482-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)COC3=CC=C(C=C3)F)C |
Product Overview
1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone (CAS 438482-45-2), with molecular formula C20H19FN2O2S and molecular weight 370.12 g/mol. IUPAC: 1-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]-2-(4-fluorophenoxy)ethanone.
Chemical Property Profile of 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone
Property Insights of 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone
The XLogP value of 4.81786 indicates that 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone has 0 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-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone?
The CAS number of 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone is 438482-45-2.
What is the molecular formula of 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone?
The molecular formula of 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone is C20H19FN2O2S.
What is the molecular weight of 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone?
The molecular weight of 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone is 370.12 g/mol.
Where can I buy 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone?
You can request a quote for 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)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-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.