amino}acetate structure](/static/products/4320/432005-54-4.webp)
Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate
TL;DR: Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate (CAS 432005-54-4) 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.
methyl 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetate
Also Known As: methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate, methyl 2-(N-(2-chloro-5-(trifluoromethyl)phenyl)phenylsulfonamido)acetate, methyl 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetate, methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(phenylsulfonyl)glycinate
| Molecular Formula | C16H13ClF3NO4S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 3.7271 |
| 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 | 901.45605 |
Chemical Identifiers
| CAS Number | 432005-54-4 |
|---|---|
| SMILES | COC(=O)CN(C1=C(C=CC(=C1)C(F)(F)F)Cl)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate (CAS 432005-54-4), with molecular formula C16H13ClF3NO4S and molecular weight 407.02 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetate.
Chemical Property Profile of Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate
Property Insights of Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate
The XLogP value of 3.7271 indicates that Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}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 Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate. Following Lipinski's Rule of Five, Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}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 Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate?
The CAS number of Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate is 432005-54-4.
What is the molecular formula of Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate?
The molecular formula of Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate is C16H13ClF3NO4S.
What is the molecular weight of Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate?
The molecular weight of Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate is 407.02 g/mol.
Where can I buy Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate?
You can request a quote for Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.