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Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate
TL;DR: Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate (CAS 333449-49-3) is a chemical compound with molecular formula C16H14F3NO4S and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetate
Also Known As: Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate, BAS 02184769, methyl 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetate, Methyl N-(phenylsulfonyl)-N-(3-(trifluoromethyl)phenyl)glycinate, methyl [(phenylsulfonyl)-3-(trifluoromethyl)anilino]acetate
| Molecular Formula | C16H14F3NO4S |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 3.0737 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.05957 |
| Heavy Atoms | 25 |
| Complexity | 851.1836 |
Chemical Identifiers
| CAS Number | 333449-49-3 |
|---|---|
| SMILES | COC(=O)CN(C1=CC=CC(=C1)C(F)(F)F)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate (CAS 333449-49-3), with molecular formula C16H14F3NO4S and molecular weight 373.06 g/mol. IUPAC: methyl 2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetate.
Chemical Property Profile of Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate
Property Insights of Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate
The XLogP value of 3.0737 indicates that Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate 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 N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate. Following Lipinski's Rule of Five, Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate 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 N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate?
The CAS number of Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate is 333449-49-3.
What is the molecular formula of Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate?
The molecular formula of Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate is C16H14F3NO4S.
What is the molecular weight of Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate?
The molecular weight of Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate is 373.06 g/mol.
Where can I buy Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate?
You can request a quote for Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(phenylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.