![3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate structure](/static/products/3390/339019-08-8.webp)
3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate
TL;DR: 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate (CAS 339019-08-8) is a chemical compound with molecular formula C16H13ClF3NO4S and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] 2-(4-chloro-N-methylsulfonylanilino)acetate
Also Known As: 7N-413S, 3-(trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate, [3-(trifluoromethyl)phenyl] 2-(4-chloro-N-methylsulfonylanilino)acetate, 3-(trifluoromethyl)phenyl 2-[N-(4-chlorophenyl)methanesulfonamido]acetate, 3-(trifluoromethyl)phenyl2-[N-(4-chlorophenyl)methanesulfonamido]acetate
| Molecular Formula | C16H13ClF3NO4S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 3.7304 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.0206 |
| Heavy Atoms | 26 |
| Complexity | 898.45605 |
Chemical Identifiers
| CAS Number | 339019-08-8 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)OC1=CC=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)Cl |
Product Overview
3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate (CAS 339019-08-8), with molecular formula C16H13ClF3NO4S and molecular weight 407.02 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] 2-(4-chloro-N-methylsulfonylanilino)acetate.
Chemical Property Profile of 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate
Property Insights of 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate
The XLogP value of 3.7304 indicates that 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate 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 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate?
The CAS number of 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate is 339019-08-8.
What is the molecular formula of 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate?
The molecular formula of 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate is C16H13ClF3NO4S.
What is the molecular weight of 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate?
The molecular weight of 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate is 407.02 g/mol.
Where can I buy 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate?
You can request a quote for 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenyl 2-[4-chloro(methylsulfonyl)anilino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.