1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone
TL;DR: 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone (CAS 339097-31-3) is a chemical compound with molecular formula C9H7ClF2O3S and molecular weight 267.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4,5-difluorophenyl)-2-methylsulfonylethanone
Also Known As: 8H-314S, 1-(2-chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone, 1-(2-chloro-4,5-difluorophenyl)-2-methylsulfonylethanone, 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)ethan-1-one, 1-(2-chloro-4,5-difluorophenyl)-2-methanesulfonylethan-1-one
| Molecular Formula | C9H7ClF2O3S |
|---|---|
| Molecular Weight | 267.98 g/mol |
| LogP | 1.8455 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.97726 |
| Heavy Atoms | 16 |
| Complexity | 539.93024 |
Chemical Identifiers
| CAS Number | 339097-31-3 |
|---|---|
| SMILES | CS(=O)(=O)CC(=O)C1=CC(=C(C=C1Cl)F)F |
Product Overview
1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone (CAS 339097-31-3), with molecular formula C9H7ClF2O3S and molecular weight 267.98 g/mol. IUPAC: 1-(2-chloro-4,5-difluorophenyl)-2-methylsulfonylethanone.
Chemical Property Profile of 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone
Property Insights of 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone
The XLogP value of 1.8455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone. With a topological polar surface area (TPSA) of 51.21 Ų, 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone 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 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone?
The CAS number of 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone is 339097-31-3.
What is the molecular formula of 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone?
The molecular formula of 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone is C9H7ClF2O3S.
What is the molecular weight of 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone?
The molecular weight of 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone is 267.98 g/mol.
Where can I buy 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone?
You can request a quote for 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-4,5-difluorophenyl)-2-(methylsulfonyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.