2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
TL;DR: 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid (CAS 1009545-11-2) is a chemical compound with molecular formula C13H19NO5S2 and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
Also Known As: 2-(4-ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid, 2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid, 2-{[(4-ethoxyphenyl)sulfonyl]amino}-4-(methylthio)butanoic acid, 2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoic Acid, 2-(4-ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoicacid
| Molecular Formula | C13H19NO5S2 |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 1.5699 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 333.07047 |
| Heavy Atoms | 21 |
| Complexity | 556.42926 |
Chemical Identifiers
| CAS Number | 1009545-11-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)O |
Product Overview
2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid (CAS 1009545-11-2), with molecular formula C13H19NO5S2 and molecular weight 333.07 g/mol. IUPAC: 2-[(4-ethoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
Property Insights of 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
The XLogP value of 1.5699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid 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 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is 1009545-11-2.
What is the molecular formula of 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is C13H19NO5S2.
What is the molecular weight of 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is 333.07 g/mol.
Where can I buy 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethoxybenzenesulfonamido)-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.