Benzenesulfonic acid, 2-amino-3,5-dimethyl-
TL;DR: Benzenesulfonic acid, 2-amino-3,5-dimethyl- (CAS 88-22-2) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3,5-dimethylbenzenesulfonic acid
Also Known As: 2-Amino-3,5-dimethylbenzenesulfonic acid, 2,4-Dimethylaniline-6-sulfonic Acid, penbutolol, 2-Amino-3,5-xylenesulfonic acid, 2-Amino-3,5-xylenesulphonic acid
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 88-22-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)S(=O)(=O)O)N)C |
| InChIKey | CFCXQQUQLZIZPI-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-3,5-dimethyl- (CAS 88-22-2), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: 2-amino-3,5-dimethylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 2-amino-3,5-dimethyl-
Property Insights of Benzenesulfonic acid, 2-amino-3,5-dimethyl-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 2-amino-3,5-dimethyl-. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 2-amino-3,5-dimethyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2-amino-3,5-dimethyl- has 2 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-3,5-dimethyl-?
The CAS number of Benzenesulfonic acid, 2-amino-3,5-dimethyl- is 88-22-2.
What is the molecular formula of Benzenesulfonic acid, 2-amino-3,5-dimethyl-?
The molecular formula of Benzenesulfonic acid, 2-amino-3,5-dimethyl- is C8H11NO3S.
What is the molecular weight of Benzenesulfonic acid, 2-amino-3,5-dimethyl-?
The molecular weight of Benzenesulfonic acid, 2-amino-3,5-dimethyl- is 201.05 g/mol.
Where can I buy Benzenesulfonic acid, 2-amino-3,5-dimethyl-?
You can request a quote for Benzenesulfonic acid, 2-amino-3,5-dimethyl- 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-3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2-amino-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.