Benzenesulfonic acid, 2-amino-, phenyl ester
TL;DR: Benzenesulfonic acid, 2-amino-, phenyl ester (CAS 68227-69-0) 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 2-aminobenzenesulfonate
Also Known As: Phenyl-2-aminobenzenesulfonate, phenyl 2-aminobenzenesulfonate, Orthanilic acid phenyl ester, 2-Aminobenzenesulfonic acid phenyl ester, Phenyl o-aminobenzenesulphonate
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 2.9 |
| 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 | 68227-69-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N |
| InChIKey | DELFPZLNAZAZRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 2-amino-, phenyl ester (CAS 68227-69-0), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: phenyl 2-aminobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2-amino-, phenyl ester
Property Insights of Benzenesulfonic acid, 2-amino-, phenyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 2-amino-, phenyl ester. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 2-amino-, phenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-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, 2-amino-, phenyl ester?
The CAS number of Benzenesulfonic acid, 2-amino-, phenyl ester is 68227-69-0.
What is the molecular formula of Benzenesulfonic acid, 2-amino-, phenyl ester?
The molecular formula of Benzenesulfonic acid, 2-amino-, phenyl ester is C12H11NO3S.
What is the molecular weight of Benzenesulfonic acid, 2-amino-, phenyl ester?
The molecular weight of Benzenesulfonic acid, 2-amino-, phenyl ester is 249.05 g/mol.
Where can I buy Benzenesulfonic acid, 2-amino-, phenyl ester?
You can request a quote for Benzenesulfonic acid, 2-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, 2-amino-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-amino-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.