Thiobutacin
TL;DR: Thiobutacin (CAS 758695-83-9) 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-aminophenyl)-2-methylsulfanyl-4-oxobutanoic acid
Also Known As: thiobutacin, J2.135.597F, 4-(2-aminophenyl)-2-methylsulfanyl-4-oxobutanoic acid, 2-(Methylthio)-4-oxo-4-(2-aminophenyl)butanoic acid, 4-(2-Aminophenyl)-2-(methylthio)-4-oxobutyric acid
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.6578 |
| Topological Polar Surface Area | 80.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 405.97107 |
Chemical Identifiers
| CAS Number | 758695-83-9 |
|---|---|
| SMILES | CSC(CC(=O)C1=CC=CC=C1N)C(=O)O |
Product Overview
Thiobutacin (CAS 758695-83-9), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 4-(2-aminophenyl)-2-methylsulfanyl-4-oxobutanoic acid.
Chemical Property Profile of Thiobutacin
Property Insights of Thiobutacin
The XLogP value of 1.6578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiobutacin. The TPSA of 80.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiobutacin. Following Lipinski's Rule of Five, Thiobutacin 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 Thiobutacin?
The CAS number of Thiobutacin is 758695-83-9.
What is the molecular formula of Thiobutacin?
The molecular formula of Thiobutacin is C11H13NO3S.
What is the molecular weight of Thiobutacin?
The molecular weight of Thiobutacin is 239.06 g/mol.
Where can I buy Thiobutacin?
You can request a quote for Thiobutacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiobutacin?
Yes, KEHONG BIO provides custom synthesis services for Thiobutacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.