Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI)
TL;DR: Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) (CAS 767576-22-7) is a chemical compound with molecular formula C9H12O4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-2-methylbenzenesulfonic acid
Also Known As: 4-ethoxy-2-methylbenzenesulfonic acid, 4-ethoxy-2-methyl-benzenesulfonic Acid, Benzenesulfonic acid, 4-ethoxy-2-methyl- (9CI), BENZENESULFONIC ACID, 4-ETHOXY-2-METHYL-
| Molecular Formula | C9H12O4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.64042 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.04562 |
| Heavy Atoms | 14 |
| Complexity | 422.43814 |
Chemical Identifiers
| CAS Number | 767576-22-7 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)S(=O)(=O)O)C |
Product Overview
Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) (CAS 767576-22-7), with molecular formula C9H12O4S and molecular weight 216.05 g/mol. IUPAC: 4-ethoxy-2-methylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI)
Property Insights of Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI)
The XLogP value of 1.64042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI). The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI). Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) has 1 hydrogen bond donor(s) and 3 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, 4-ethoxy-2-methyl-(9CI)?
The CAS number of Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) is 767576-22-7.
What is the molecular formula of Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI)?
The molecular formula of Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) is C9H12O4S.
What is the molecular weight of Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI)?
The molecular weight of Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) is 216.05 g/mol.
Where can I buy Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI)?
You can request a quote for Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-ethoxy-2-methyl-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.