2-(Ethylamino)toluene-4-sulfonic acid
TL;DR: 2-(Ethylamino)toluene-4-sulfonic acid (CAS 98-40-8) is a chemical compound with molecular formula C9H13NO3S and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(ethylamino)-4-methylbenzenesulfonic acid
Also Known As: 3-(ethylamino)-4-methylbenzenesulfonic acid, 2-(Ethylamino)toluene-4-sulphonic acid, 2- toluene-4-sulphonicacid, 2-(ethylamino)toluen-4-sulfonsyre, 2-(ETHYLAMINO)TOLUENE-4-SULFONIC ACID
| Molecular Formula | C9H13NO3S |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.06161 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 98-40-8 |
|---|---|
| SMILES | CCNC1=C(C=CC(=C1)S(=O)(=O)O)C |
| InChIKey | AHAFWLDHQAFWFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylamino)toluene-4-sulfonic acid (CAS 98-40-8), with molecular formula C9H13NO3S and molecular weight 215.06 g/mol. IUPAC: 3-(ethylamino)-4-methylbenzenesulfonic acid.
Chemical Property Profile of 2-(Ethylamino)toluene-4-sulfonic acid
Property Insights of 2-(Ethylamino)toluene-4-sulfonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylamino)toluene-4-sulfonic acid. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylamino)toluene-4-sulfonic acid. Following Lipinski's Rule of Five, 2-(Ethylamino)toluene-4-sulfonic acid has 2 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 2-(Ethylamino)toluene-4-sulfonic acid?
The CAS number of 2-(Ethylamino)toluene-4-sulfonic acid is 98-40-8.
What is the molecular formula of 2-(Ethylamino)toluene-4-sulfonic acid?
The molecular formula of 2-(Ethylamino)toluene-4-sulfonic acid is C9H13NO3S.
What is the molecular weight of 2-(Ethylamino)toluene-4-sulfonic acid?
The molecular weight of 2-(Ethylamino)toluene-4-sulfonic acid is 215.06 g/mol.
Where can I buy 2-(Ethylamino)toluene-4-sulfonic acid?
You can request a quote for 2-(Ethylamino)toluene-4-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylamino)toluene-4-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylamino)toluene-4-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.