n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt
TL;DR: n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt (CAS 83777-30-4) is a chemical compound with molecular formula C13H21NO6S and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid
Also Known As: DAOS, 2-Daos, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline, N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt, N-Ethyl-N- -3,5-dimethoxyanilinesodiumsalt
| Molecular Formula | C13H21NO6S |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.10895 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 83777-30-4 |
|---|---|
| SMILES | CCN(CC(CS(=O)(=O)O)O)C1=CC(=CC(=C1)OC)OC |
| InChIKey | BTIDJAQNJLWPTI-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)-3,5-dimethoxyaniline sodium salt (CAS 83777-30-4), with molecular formula C13H21NO6S and molecular weight 319.11 g/mol. IUPAC: 3-(N-ethyl-3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid.
Chemical Property Profile of n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt
Property Insights of n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt. Following Lipinski's Rule of Five, n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt has 2 hydrogen bond donor(s) and 7 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)-3,5-dimethoxyaniline sodium salt?
The CAS number of n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt is 83777-30-4.
What is the molecular formula of n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt?
The molecular formula of n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt is C13H21NO6S.
What is the molecular weight of n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt?
The molecular weight of n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt is 319.11 g/mol.
Where can I buy n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt?
You can request a quote for n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt 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)-3,5-dimethoxyaniline sodium salt?
Yes, KEHONG BIO provides custom synthesis services for n-ethyl-n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.