3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 161192-26-3) is a chemical compound with molecular formula C8H11NO3S2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Also Known As: ChemDiv2_000131, 3-methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 3-Methyl-2-(4-oxo-2-thioxo-thiazolidin-3-yl)-butyric acid, 5162AD, 3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
| Molecular Formula | C8H11NO3S2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 0.9559 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.01804 |
| Heavy Atoms | 14 |
| Complexity | 274.31097 |
Chemical Identifiers
| CAS Number | 161192-26-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)CSC1=S |
Product Overview
3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 161192-26-3), with molecular formula C8H11NO3S2 and molecular weight 233.02 g/mol. IUPAC: 3-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid.
Chemical Property Profile of 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 0.9559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid has 1 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 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 161192-26-3.
What is the molecular formula of 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C8H11NO3S2.
What is the molecular weight of 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 233.02 g/mol.
Where can I buy 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.