Benzenesulfonic acid, 3-amino-4-methoxy-
TL;DR: Benzenesulfonic acid, 3-amino-4-methoxy- (CAS 98-42-0) is a chemical compound with molecular formula C7H9NO4S and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-methoxybenzenesulfonic acid
Also Known As: 3-Amino-4-methoxybenzenesulfonic acid, 4-Methoxymetanilic acid, 2-Anisidine-4-sulfonic acid, o-Anisidine-4-sulfonic acid, o-Anisidine-5-sulfonic Acid
| Molecular Formula | C7H9NO4S |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.02522 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 98-42-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)O)N |
| InChIKey | FLIOATBXVNLPLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-amino-4-methoxy- (CAS 98-42-0), with molecular formula C7H9NO4S and molecular weight 203.03 g/mol. IUPAC: 3-amino-4-methoxybenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-amino-4-methoxy-
Property Insights of Benzenesulfonic acid, 3-amino-4-methoxy-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-amino-4-methoxy-. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-amino-4-methoxy-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-amino-4-methoxy- has 2 hydrogen bond donor(s) and 5 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-4-methoxy-?
The CAS number of Benzenesulfonic acid, 3-amino-4-methoxy- is 98-42-0.
What is the molecular formula of Benzenesulfonic acid, 3-amino-4-methoxy-?
The molecular formula of Benzenesulfonic acid, 3-amino-4-methoxy- is C7H9NO4S.
What is the molecular weight of Benzenesulfonic acid, 3-amino-4-methoxy-?
The molecular weight of Benzenesulfonic acid, 3-amino-4-methoxy- is 203.03 g/mol.
Where can I buy Benzenesulfonic acid, 3-amino-4-methoxy-?
You can request a quote for Benzenesulfonic acid, 3-amino-4-methoxy- 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-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-amino-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.