![4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid structure](/static/products/7778/777894-83-4.webp)
4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid
TL;DR: 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid (CAS 777894-83-4) is a chemical compound with molecular formula C20H25NO5S and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-butoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
Also Known As: 3-(4-butoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic Acid, 4-Butoxy-beta-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid, 3-(4-Butoxyphenyl)-3-[(4-methylbenzene-1-sulfonyl)amino]propanoic acid, 3-(4-butoxyphenyl)-3-{[(4-methylphenyl)sulfonyl]amino}propanoic acid, 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid
| Molecular Formula | C20H25NO5S |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 3.66822 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 391.14536 |
| Heavy Atoms | 27 |
| Complexity | 844.94574 |
Chemical Identifiers
| CAS Number | 777894-83-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C |
Product Overview
4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid (CAS 777894-83-4), with molecular formula C20H25NO5S and molecular weight 391.15 g/mol. IUPAC: 3-(4-butoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid
Property Insights of 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid
The XLogP value of 3.66822 indicates that 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid. Following Lipinski's Rule of Five, 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic 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 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid?
The CAS number of 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid is 777894-83-4.
What is the molecular formula of 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid?
The molecular formula of 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid is C20H25NO5S.
What is the molecular weight of 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid?
The molecular weight of 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid is 391.15 g/mol.
Where can I buy 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid?
You can request a quote for 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-I(2)-[[(4-methylphenyl)sulfonyl]amino]benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.