Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester
TL;DR: Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester (CAS 68227-70-3) is a chemical compound with molecular formula C12H10ClNO3S and molecular weight 283.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 2-aminobenzenesulfonate
Also Known As: o-Chlorophenyl o-aminobenzenesulphonate, (2-chlorophenyl) 2-aminobenzenesulfonate, 2-chlorophenyl 2-aminobenzenesulfonate, 2-chlorophenyl 2-aminobenzene-1-sulfonate, Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester
| Molecular Formula | C12H10ClNO3S |
|---|---|
| Molecular Weight | 283.01 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.007 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 68227-70-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)S(=O)(=O)OC2=CC=CC=C2Cl |
| InChIKey | PYHMYLMGXGHSBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester (CAS 68227-70-3), with molecular formula C12H10ClNO3S and molecular weight 283.01 g/mol. IUPAC: (2-chlorophenyl) 2-aminobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester
Property Insights of Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester
The XLogP value of 3.5 indicates that Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-amino-, 2-chlorophenyl 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 Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester?
The CAS number of Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester is 68227-70-3.
What is the molecular formula of Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester?
The molecular formula of Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester is C12H10ClNO3S.
What is the molecular weight of Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester?
The molecular weight of Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester is 283.01 g/mol.
Where can I buy Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester?
You can request a quote for Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-amino-, 2-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.