![2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid structure](/static/products/3290/329081-93-8.webp)
2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid
TL;DR: 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid (CAS 329081-93-8) is a chemical compound with molecular formula C16H15NO3S and molecular weight 301.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(N-methylanilino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: TimTec1_001681, 2-({2-[methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid, 2-[2-(N-methylanilino)-2-oxoethyl]sulfanylbenzoic acid, 2-((2-(Methyl(phenyl)amino)-2-oxoethyl)thio)benzoic acid, 2-((2-[Methyl(phenyl)amino]-2-oxoethyl)thio)benzoic acid
| Molecular Formula | C16H15NO3S |
|---|---|
| Molecular Weight | 301.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.07727 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 329081-93-8 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)CSC2=CC=CC=C2C(=O)O |
| InChIKey | CDDDZKZEJVHOND-UHFFFAOYSA-N |
Product Overview
2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid (CAS 329081-93-8), with molecular formula C16H15NO3S and molecular weight 301.08 g/mol. IUPAC: 2-[2-(N-methylanilino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid
Property Insights of 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid
The XLogP value of 3.0 indicates that 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid. Following Lipinski's Rule of Five, 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid has 1 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 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid?
The CAS number of 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid is 329081-93-8.
What is the molecular formula of 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid?
The molecular formula of 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid is C16H15NO3S.
What is the molecular weight of 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid?
The molecular weight of 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid is 301.08 g/mol.
Where can I buy 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid?
You can request a quote for 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-[Methyl(phenyl)amino]-2-oxoethyl}thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.