3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid
TL;DR: 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid (CAS 94129-58-5) is a chemical compound with molecular formula C11H17NO6S and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid
Also Known As: n-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline, 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid, 3-(3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid, 3-[(3,5-dimethoxyphenyl)amino]-2-hydroxy-propane-1-sulfonic Acid
| Molecular Formula | C11H17NO6S |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 0.3644 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 291.07767 |
| Heavy Atoms | 19 |
| Complexity | 493.66675 |
Chemical Identifiers
| CAS Number | 94129-58-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)NCC(CS(=O)(=O)O)O)OC |
Product Overview
3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid (CAS 94129-58-5), with molecular formula C11H17NO6S and molecular weight 291.08 g/mol. IUPAC: 3-(3,5-dimethoxyanilino)-2-hydroxypropane-1-sulfonic acid.
Chemical Property Profile of 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid
Property Insights of 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid
The XLogP value of 0.3644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid. Following Lipinski's Rule of Five, 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid has 3 hydrogen bond donor(s) and 6 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 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid?
The CAS number of 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid is 94129-58-5.
What is the molecular formula of 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid?
The molecular formula of 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid is C11H17NO6S.
What is the molecular weight of 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid?
The molecular weight of 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid is 291.08 g/mol.
Where can I buy 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid?
You can request a quote for 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((3,5-Dimethoxyphenyl)amino)-2-hydroxypropane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.