2-Formylbenzenesulfonic acid
TL;DR: 2-Formylbenzenesulfonic acid (CAS 91-25-8) is a chemical compound with molecular formula C7H6O4S and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-formylbenzenesulfonic acid
Also Known As: 2-formylbenzenesulfonic acid, 2-Sulfobenzaldehyde, o-Sulfobenzaldehyde, o-Sulfobenzaldehyd, 2-Sulfobenzaldehyde Hydrate
| Molecular Formula | C7H6O4S |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.99867 |
| Heavy Atoms | 12 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 91-25-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=O)S(=O)(=O)O |
| InChIKey | SHHKMWMIKILKQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Formylbenzenesulfonic acid (CAS 91-25-8), with molecular formula C7H6O4S and molecular weight 186.00 g/mol. IUPAC: 2-formylbenzenesulfonic acid.
Chemical Property Profile of 2-Formylbenzenesulfonic acid
Property Insights of 2-Formylbenzenesulfonic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formylbenzenesulfonic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Formylbenzenesulfonic acid 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 2-Formylbenzenesulfonic acid?
The CAS number of 2-Formylbenzenesulfonic acid is 91-25-8.
What is the molecular formula of 2-Formylbenzenesulfonic acid?
The molecular formula of 2-Formylbenzenesulfonic acid is C7H6O4S.
What is the molecular weight of 2-Formylbenzenesulfonic acid?
The molecular weight of 2-Formylbenzenesulfonic acid is 186.00 g/mol.
Where can I buy 2-Formylbenzenesulfonic acid?
You can request a quote for 2-Formylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Formylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.