![4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid structure](/static/products/5148/514824-94-3.webp)
4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid
TL;DR: 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid (CAS 514824-94-3) is a chemical compound with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(cyclohexylsulfamoyl)anilino]-4-oxobutanoic acid
Also Known As: starbld0046139, 4-{4-[(cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid, AN-329/41583338, 4-[4-(cyclohexylsulfamoyl)anilino]-4-oxobutanoic acid, 4-((4-(N-Cyclohexylsulfamoyl)phenyl)amino)-4-oxobutanoic acid
| Molecular Formula | C16H22N2O5S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.1009 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.12494 |
| Heavy Atoms | 24 |
| Complexity | 678.92426 |
Chemical Identifiers
| CAS Number | 514824-94-3 |
|---|---|
| SMILES | C1CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O |
Product Overview
4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid (CAS 514824-94-3), with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol. IUPAC: 4-[4-(cyclohexylsulfamoyl)anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid
Property Insights of 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid
The XLogP value of 2.1009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid has 3 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-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid?
The CAS number of 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid is 514824-94-3.
What is the molecular formula of 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid?
The molecular formula of 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid is C16H22N2O5S.
What is the molecular weight of 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid?
The molecular weight of 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid is 354.12 g/mol.
Where can I buy 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid?
You can request a quote for 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[(Cyclohexylamino)sulfonyl]anilino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.