![4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid structure](/static/products/899/899016-21-8.png)
4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid (CAS 899016-21-8) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylsulfanylanilino)-4-oxobutanoic acid
Also Known As: 4-{[2-(METHYLTHIO)PHENYL]AMINO}-4-OXOBUTANOIC ACID, 4-(2-methylsulfanylanilino)-4-oxobutanoic acid, CHEMBRDG-BB 9045617, 2600AF, 4-([2-(Methylthio)phenyl]amino)-4-oxobutanoic acid
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.2118 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 392.57098 |
Chemical Identifiers
| CAS Number | 899016-21-8 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)CCC(=O)O |
Product Overview
4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid (CAS 899016-21-8), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 4-(2-methylsulfanylanilino)-4-oxobutanoic acid.
Chemical Property Profile of 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid
The XLogP value of 2.2118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 3 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-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid is 899016-21-8.
What is the molecular formula of 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid is C11H13NO3S.
What is the molecular weight of 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid is 239.06 g/mol.
Where can I buy 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[2-(Methylthio)phenyl]amino}-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-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(Methylthio)phenyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.