3-(2-Methoxyanilino)propane-1-sulfonic acid
TL;DR: 3-(2-Methoxyanilino)propane-1-sulfonic acid (CAS 52962-50-2) is a chemical compound with molecular formula C10H15NO4S and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyanilino)propane-1-sulfonic acid
Also Known As: 3-((2-methoxyphenyl)amino)propane-1-sulfonic acid, 3-[(2-methoxyphenyl)amino]propane-1-sulfonic Acid
| Molecular Formula | C10H15NO4S |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.385 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.07217 |
| Heavy Atoms | 16 |
| Complexity | 430.2001 |
Chemical Identifiers
| CAS Number | 52962-50-2 |
|---|---|
| SMILES | COC1=CC=CC=C1NCCCS(=O)(=O)O |
Product Overview
3-(2-Methoxyanilino)propane-1-sulfonic acid (CAS 52962-50-2), with molecular formula C10H15NO4S and molecular weight 245.07 g/mol. IUPAC: 3-(2-methoxyanilino)propane-1-sulfonic acid.
Chemical Property Profile of 3-(2-Methoxyanilino)propane-1-sulfonic acid
Property Insights of 3-(2-Methoxyanilino)propane-1-sulfonic acid
The XLogP value of 1.385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methoxyanilino)propane-1-sulfonic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methoxyanilino)propane-1-sulfonic acid. Following Lipinski's Rule of Five, 3-(2-Methoxyanilino)propane-1-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 3-(2-Methoxyanilino)propane-1-sulfonic acid?
The CAS number of 3-(2-Methoxyanilino)propane-1-sulfonic acid is 52962-50-2.
What is the molecular formula of 3-(2-Methoxyanilino)propane-1-sulfonic acid?
The molecular formula of 3-(2-Methoxyanilino)propane-1-sulfonic acid is C10H15NO4S.
What is the molecular weight of 3-(2-Methoxyanilino)propane-1-sulfonic acid?
The molecular weight of 3-(2-Methoxyanilino)propane-1-sulfonic acid is 245.07 g/mol.
Where can I buy 3-(2-Methoxyanilino)propane-1-sulfonic acid?
You can request a quote for 3-(2-Methoxyanilino)propane-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-(2-Methoxyanilino)propane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxyanilino)propane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.