![2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid structure](/static/products/5407/540774-64-9.webp)
2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid
TL;DR: 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid (CAS 540774-64-9) is a chemical compound with molecular formula C18H19NO3S and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoic acid
Also Known As: 2-((2-(mesitylamino)-2-oxoethyl)thio)benzoic acid, 2-[(2,4,6-Trimethyl-phenylcarbamoyl)-methylsulfanyl]-benzoic acid, 2-[(2,4,6-trimethylphenyl)carbamoylmethylsulfanyl]benzoic Acid, 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoic acid, 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid
| Molecular Formula | C18H19NO3S |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.04086 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.10855 |
| Heavy Atoms | 23 |
| Complexity | 732.67706 |
Chemical Identifiers
| CAS Number | 540774-64-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=CC=CC=C2C(=O)O)C |
Product Overview
2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid (CAS 540774-64-9), with molecular formula C18H19NO3S and molecular weight 329.11 g/mol. IUPAC: 2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid
Property Insights of 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid
The XLogP value of 4.04086 indicates that 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid. Following Lipinski's Rule of Five, 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid has 2 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 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid?
The CAS number of 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid is 540774-64-9.
What is the molecular formula of 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid?
The molecular formula of 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid is C18H19NO3S.
What is the molecular weight of 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid?
The molecular weight of 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid is 329.11 g/mol.
Where can I buy 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid?
You can request a quote for 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}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-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[N-(2,4,6-trimethylphenyl)carbamoyl]methylthio}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.