![2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid structure](/static/products/1023/1023576-89-7.webp)
2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid
TL;DR: 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid (CAS 1023576-89-7) is a chemical compound with molecular formula C18H18ClNO3S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid
Also Known As: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid, 2-(2-(4-Chlorophenylthio)propanoylamino)-3,5-dimethylbenzoic acid; 95%, 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethyl-benzoic Acid, 2-(2-(4-CHLOROPHENYLTHIO)PROPANOYLAMINO)-3,5-DIMETHYLBENZOIC ACID
| Molecular Formula | C18H18ClNO3S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 4.77434 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.06958 |
| Heavy Atoms | 24 |
| Complexity | 774.5785 |
Chemical Identifiers
| CAS Number | 1023576-89-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)Cl)C |
Product Overview
2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid (CAS 1023576-89-7), with molecular formula C18H18ClNO3S and molecular weight 363.07 g/mol. IUPAC: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid.
Chemical Property Profile of 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid
Property Insights of 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid
The XLogP value of 4.77434 indicates that 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic 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-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid. Following Lipinski's Rule of Five, 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic 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-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid?
The CAS number of 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid is 1023576-89-7.
What is the molecular formula of 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid?
The molecular formula of 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid is C18H18ClNO3S.
What is the molecular weight of 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid?
The molecular weight of 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid is 363.07 g/mol.
Where can I buy 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid?
You can request a quote for 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic 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-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.