![Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- structure](/static/products/9198/91-98-5.webp)
Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-
TL;DR: Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- (CAS 91-98-5) is a chemical compound with molecular formula C16H19NO3S and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(N-ethyl-3-methylanilino)methyl]benzenesulfonic acid
Also Known As: alpha- -m-toluenesulphonicacid, Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-, N-Ethyl-N-(M-Tosyl)-M-Toluidine, alpha-(N-Ethyl-m-toluidino)-m-toluenesulphonic acid, N-Ethyl-N-(m-tolylsulfonyl)-3-methylaniline
| Molecular Formula | C16H19NO3S |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.10855 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 91-98-5 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC(=C2)C |
| InChIKey | QAHDKLRCWZENIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- (CAS 91-98-5), with molecular formula C16H19NO3S and molecular weight 305.11 g/mol. IUPAC: 3-[(N-ethyl-3-methylanilino)methyl]benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-
Property Insights of Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-
The XLogP value of 3.0 indicates that Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- 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-[[ethyl(3-methylphenyl)amino]methyl]-?
The CAS number of Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- is 91-98-5.
What is the molecular formula of Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-?
The molecular formula of Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- is C16H19NO3S.
What is the molecular weight of Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-?
The molecular weight of Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- is 305.11 g/mol.
Where can I buy Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-?
You can request a quote for Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- 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-[[ethyl(3-methylphenyl)amino]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.