![2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one structure](/static/products/6484/648410-33-7.webp)
2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one
TL;DR: 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one (CAS 648410-33-7) is a chemical compound with molecular formula C13H8Cl3FN2OS and molecular weight 363.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-methylsulfanylpyrazol-1-yl]prop-2-en-1-one
Also Known As: 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one, 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-methylsulfanylpyrazol-1-yl]prop-2-en-1-one, 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylsulfanyl)pyrazol-1-yl]prop-2-en-1-one
| Molecular Formula | C13H8Cl3FN2OS |
|---|---|
| Molecular Weight | 363.94 g/mol |
| LogP | 4.9368 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.9407 |
| Heavy Atoms | 21 |
| Complexity | 708.7065 |
Chemical Identifiers
| CAS Number | 648410-33-7 |
|---|---|
| SMILES | CSC1=CC(=NN1C(=O)C(=C(Cl)Cl)Cl)C2=CC=C(C=C2)F |
Product Overview
2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one (CAS 648410-33-7), with molecular formula C13H8Cl3FN2OS and molecular weight 363.94 g/mol. IUPAC: 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-methylsulfanylpyrazol-1-yl]prop-2-en-1-one.
Chemical Property Profile of 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one
Property Insights of 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one
The XLogP value of 4.9368 indicates that 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one has 0 hydrogen bond donor(s) and 3 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 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one?
The CAS number of 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one is 648410-33-7.
What is the molecular formula of 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one?
The molecular formula of 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one is C13H8Cl3FN2OS.
What is the molecular weight of 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one?
The molecular weight of 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one is 363.94 g/mol.
Where can I buy 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one?
You can request a quote for 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.