4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester
TL;DR: 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester (CAS 29247-79-8) is a chemical compound with molecular formula C15H14ClNO4S and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
Also Known As: Maybridge1_001623, Methyl 4-chloro-2-(tosylamino)benzoate, methyl 4-chloro-2-[(4-methylbenzene)sulfonamido]benzoate, methyl 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate, 4-CHLORO-2-(TOLUENE-4-SULFONYLAMINO)-BENZOIC ACID METHYL ESTER
| Molecular Formula | C15H14ClNO4S |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 3.23582 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.0332 |
| Heavy Atoms | 22 |
| Complexity | 800.7922 |
Chemical Identifiers
| CAS Number | 29247-79-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)C(=O)OC |
Product Overview
4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester (CAS 29247-79-8), with molecular formula C15H14ClNO4S and molecular weight 339.03 g/mol. IUPAC: methyl 4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate.
Chemical Property Profile of 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester
Property Insights of 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester
The XLogP value of 3.23582 indicates that 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester. Following Lipinski's Rule of Five, 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester 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 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester?
The CAS number of 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester is 29247-79-8.
What is the molecular formula of 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester?
The molecular formula of 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester is C15H14ClNO4S.
What is the molecular weight of 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester?
The molecular weight of 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester is 339.03 g/mol.
Where can I buy 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester?
You can request a quote for 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(toluene-4-sulfonylamino)-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.