2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid
TL;DR: 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid (CAS 2442-80-0) is a chemical compound with molecular formula C11H18N2O3S and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid
Also Known As: 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid, 2-(4-Amino-N-ethyl-m-toluidino)ethyl sulfate, Ethanesulfonic acid, 2-[(4-amino-3-methylphenyl)ethylamino]-, 2-[(4-Amino-3-methylphenyl)(ethyl)amino]ethane-1-sulfonic acid
| Molecular Formula | C11H18N2O3S |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.10382 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 2442-80-0 |
|---|---|
| SMILES | CCN(CCS(=O)(=O)O)C1=CC(=C(C=C1)N)C |
| InChIKey | HYDLGNNMPHGCPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid (CAS 2442-80-0), with molecular formula C11H18N2O3S and molecular weight 258.10 g/mol. IUPAC: 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid.
Chemical Property Profile of 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid
Property Insights of 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid. Following Lipinski's Rule of Five, 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid has 2 hydrogen bond donor(s) and 5 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 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid?
The CAS number of 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid is 2442-80-0.
What is the molecular formula of 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid?
The molecular formula of 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid is C11H18N2O3S.
What is the molecular weight of 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid?
The molecular weight of 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid is 258.10 g/mol.
Where can I buy 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid?
You can request a quote for 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-amino-N-ethyl-3-methylanilino)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.