N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine
TL;DR: N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine (CAS 2890-11-1) is a chemical compound with molecular formula C12H19NO4S and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid
Also Known As: TOOS, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine, N-ETHYL-N-(2-HYDROXY-3-SULFOPROPYL)-m-TOLUIDINE, 3-[ethyl(3-methylphenyl)amino]-2-hydroxypropane-1-sulfonic acid, 3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid
| Molecular Formula | C12H19NO4S |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1035 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 2890-11-1 |
|---|---|
| SMILES | CCN(CC(CS(=O)(=O)O)O)C1=CC=CC(=C1)C |
| InChIKey | ZTQGWROHRVYSPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine (CAS 2890-11-1), with molecular formula C12H19NO4S and molecular weight 273.10 g/mol. IUPAC: 3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonic acid.
Chemical Property Profile of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine
Property Insights of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine. Following Lipinski's Rule of Five, N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine 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 N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine?
The CAS number of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine is 2890-11-1.
What is the molecular formula of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine?
The molecular formula of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine is C12H19NO4S.
What is the molecular weight of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine?
The molecular weight of N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine is 273.10 g/mol.
Where can I buy N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine?
You can request a quote for N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.