Benzenesulfonic acid, 3-amino-, phenyl ester
TL;DR: Benzenesulfonic acid, 3-amino-, phenyl ester (CAS 13653-18-4) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-aminobenzenesulfonate
Also Known As: Phenyl 3-aminobenzenesulfonate, 3-Aminobenzenesulfonic acid phenyl ester, Benzenesulfonic acid, 3-amino-, phenyl ester, Phenyl 3-aminobenzenesulphonate, phenyl 3-aminobenzene-1-sulfonate
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 13653-18-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)N |
| InChIKey | CHJVFEINHNDFKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-amino-, phenyl ester (CAS 13653-18-4), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: phenyl 3-aminobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 3-amino-, phenyl ester
Property Insights of Benzenesulfonic acid, 3-amino-, phenyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-amino-, phenyl ester. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-amino-, phenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-amino-, phenyl 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, 3-amino-, phenyl ester?
The CAS number of Benzenesulfonic acid, 3-amino-, phenyl ester is 13653-18-4.
What is the molecular formula of Benzenesulfonic acid, 3-amino-, phenyl ester?
The molecular formula of Benzenesulfonic acid, 3-amino-, phenyl ester is C12H11NO3S.
What is the molecular weight of Benzenesulfonic acid, 3-amino-, phenyl ester?
The molecular weight of Benzenesulfonic acid, 3-amino-, phenyl ester is 249.05 g/mol.
Where can I buy Benzenesulfonic acid, 3-amino-, phenyl ester?
You can request a quote for Benzenesulfonic acid, 3-amino-, phenyl 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, 3-amino-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-amino-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.