Benzenesulfonic acid, 3-(diethylamino)-
TL;DR: Benzenesulfonic acid, 3-(diethylamino)- (CAS 97-20-1) is a chemical compound with molecular formula C10H15NO3S and molecular weight 229.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)benzenesulfonic acid
Also Known As: 3-(diethylamino)benzenesulfonic acid, Diethylmetanilic acid, N,N-Diethylmetanilic acid, 3-Diethylaminobenzoic acid, 3-(diethylamino)benzoic acid
| Molecular Formula | C10H15NO3S |
|---|---|
| Molecular Weight | 229.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.07727 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 97-20-1 |
|---|---|
| SMILES | CCN(CC)C1=CC(=CC=C1)S(=O)(=O)O |
| InChIKey | TYXZQVMCGZKDEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-(diethylamino)- (CAS 97-20-1), with molecular formula C10H15NO3S and molecular weight 229.08 g/mol. IUPAC: 3-(diethylamino)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-(diethylamino)-
Property Insights of Benzenesulfonic acid, 3-(diethylamino)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 3-(diethylamino)-. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-(diethylamino)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-(diethylamino)- 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-(diethylamino)-?
The CAS number of Benzenesulfonic acid, 3-(diethylamino)- is 97-20-1.
What is the molecular formula of Benzenesulfonic acid, 3-(diethylamino)-?
The molecular formula of Benzenesulfonic acid, 3-(diethylamino)- is C10H15NO3S.
What is the molecular weight of Benzenesulfonic acid, 3-(diethylamino)-?
The molecular weight of Benzenesulfonic acid, 3-(diethylamino)- is 229.08 g/mol.
Where can I buy Benzenesulfonic acid, 3-(diethylamino)-?
You can request a quote for Benzenesulfonic acid, 3-(diethylamino)- 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-(diethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-(diethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.