Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1)
TL;DR: Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) (CAS 109802-17-7) is a chemical compound with molecular formula C13H23NO3S and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;4-methylbenzenesulfonic acid
Also Known As: Triethylammonium p-toluenesulphonate, tosylate de triethylamine, triethyl ammonium tosylate, triethylamine p-toluenesulphonate, Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1)
| Molecular Formula | C13H23NO3S |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.58982 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.13986 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 109802-17-7 |
|---|---|
| SMILES | CCN(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | MMVUZMIOJNPDME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) (CAS 109802-17-7), with molecular formula C13H23NO3S and molecular weight 273.14 g/mol. IUPAC: N,N-diethylethanamine;4-methylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1)
Property Insights of Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1)
The XLogP value of 2.58982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1). The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) 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, 4-methyl-, compd. with N,N-diethylethanamine (1:1)?
The CAS number of Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) is 109802-17-7.
What is the molecular formula of Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1)?
The molecular formula of Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) is C13H23NO3S.
What is the molecular weight of Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1)?
The molecular weight of Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) is 273.14 g/mol.
Where can I buy Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1)?
You can request a quote for Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) 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-methyl-, compd. with N,N-diethylethanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-methyl-, compd. with N,N-diethylethanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.