![3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid structure](/static/products/7012/701256-92-0.webp)
3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid
TL;DR: 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid (CAS 701256-92-0) is a chemical compound with molecular formula C17H15Cl2NO3S and molecular weight 383.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzoic acid
Also Known As: 3-({[(2,4-dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid, 3-(2-((2,4-dichlorobenzyl)thio)acetamido)-2-methylbenzoic acid, 3-({[(2,4-dichlorobenzyl)sulfanyl]acetyl}amino)-2-methylbenzoic acid, 3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methyl-benzoic Acid, 3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzoic acid
| Molecular Formula | C17H15Cl2NO3S |
|---|---|
| Molecular Weight | 383.01 g/mol |
| LogP | 4.87192 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.01498 |
| Heavy Atoms | 24 |
| Complexity | 780.42615 |
Chemical Identifiers
| CAS Number | 701256-92-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)CSCC2=C(C=C(C=C2)Cl)Cl)C(=O)O |
Product Overview
3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid (CAS 701256-92-0), with molecular formula C17H15Cl2NO3S and molecular weight 383.01 g/mol. IUPAC: 3-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzoic acid.
Chemical Property Profile of 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid
Property Insights of 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid
The XLogP value of 4.87192 indicates that 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic 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 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic 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 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid?
The CAS number of 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid is 701256-92-0.
What is the molecular formula of 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid?
The molecular formula of 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid is C17H15Cl2NO3S.
What is the molecular weight of 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid?
The molecular weight of 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid is 383.01 g/mol.
Where can I buy 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid?
You can request a quote for 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(2,4-Dichlorobenzyl)thio]acetyl}amino)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.