Benzenesulfonic acid, diethyl-
TL;DR: Benzenesulfonic acid, diethyl- (CAS 50856-60-5) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diethylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, diethyl-, 2,3-diethylbenzenesulfonic Acid, Benzenesulfonic acid,diethyl, 2,3-Diethylbenzene-1-sulfonic acid
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.0581 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 420.9933 |
Chemical Identifiers
| CAS Number | 50856-60-5 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)S(=O)(=O)O)CC |
Product Overview
Benzenesulfonic acid, diethyl- (CAS 50856-60-5), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 2,3-diethylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, diethyl-
Property Insights of Benzenesulfonic acid, diethyl-
The XLogP value of 2.0581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, diethyl-. With a topological polar surface area (TPSA) of 54.37 Ų, Benzenesulfonic acid, diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, diethyl- has 1 hydrogen bond donor(s) and 2 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, diethyl-?
The CAS number of Benzenesulfonic acid, diethyl- is 50856-60-5.
What is the molecular formula of Benzenesulfonic acid, diethyl-?
The molecular formula of Benzenesulfonic acid, diethyl- is C10H14O3S.
What is the molecular weight of Benzenesulfonic acid, diethyl-?
The molecular weight of Benzenesulfonic acid, diethyl- is 214.07 g/mol.
Where can I buy Benzenesulfonic acid, diethyl-?
You can request a quote for Benzenesulfonic acid, diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, diethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.