4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid
TL;DR: 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid (CAS 13054-67-6) is a chemical compound with molecular formula C9H13NO3S2 and molecular weight 247.03369 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoic acid
Also Known As: starbld0009400, 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid, 4-methyl-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoic Acid, 4-Methyl-2-(4-oxo-2-thioxo-3-thiazolidinyl)pentanoic acid, 95%
Technical Specifications
| Molecular Formula | C9H13NO3S2 |
| Molecular Weight | 247.03369 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.03369 Da |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
| SMILES | CC(C)CC(C(=O)O)N1C(=O)CSC1=S |
| InChIKey | SXQSBDRUPMQHSD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid
Property Insights of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid. Following Lipinski's Rule of Five, 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
The CAS number of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 13054-67-6.
What is the molecular formula of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
The molecular formula of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is C9H13NO3S2.
What is the molecular weight of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
The molecular weight of 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 247.03369 g/mol.
Where can I buy 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
You can request a quote for 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.