5-Thiazolidineacetic acid, methyl ester
TL;DR: 5-Thiazolidineacetic acid, methyl ester (CAS 54255-38-8) is a chemical compound with molecular formula C13H12ClNO3S3 and molecular weight 360.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chlorophenyl)sulfanyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
Also Known As: 5-Thiazolidineacetic acid, methyl ester, methyl 2-(4-chlorophenyl)sulfanyl-2-(3-methyl-4-oxo-2-sulfan, Methyl [(4-chlorophenyl)sulfanyl](3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate, 5-Thiazolidineacetic acid, .alpha.-[(4-chlorophenyl)thio]-3-methyl-4-oxo-2-thioxo-, methyl ester, methyl 2-(4-chlorophenyl)sulfanyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate
| Molecular Formula | C13H12ClNO3S3 |
|---|---|
| Molecular Weight | 360.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.9668 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 54255-38-8 |
|---|---|
| SMILES | CN1C(=O)C(SC1=S)C(C(=O)OC)SC2=CC=C(C=C2)Cl |
| InChIKey | BCVTVHRACQUNHO-UHFFFAOYSA-N |
Product Overview
5-Thiazolidineacetic acid, methyl ester (CAS 54255-38-8), with molecular formula C13H12ClNO3S3 and molecular weight 360.97 g/mol. IUPAC: methyl 2-(4-chlorophenyl)sulfanyl-2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetate.
Chemical Property Profile of 5-Thiazolidineacetic acid, methyl ester
Property Insights of 5-Thiazolidineacetic acid, methyl ester
The XLogP value of 3.7 indicates that 5-Thiazolidineacetic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazolidineacetic acid, methyl ester. Following Lipinski's Rule of Five, 5-Thiazolidineacetic acid, methyl ester has 0 hydrogen bond donor(s) and 6 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 5-Thiazolidineacetic acid, methyl ester?
The CAS number of 5-Thiazolidineacetic acid, methyl ester is 54255-38-8.
What is the molecular formula of 5-Thiazolidineacetic acid, methyl ester?
The molecular formula of 5-Thiazolidineacetic acid, methyl ester is C13H12ClNO3S3.
What is the molecular weight of 5-Thiazolidineacetic acid, methyl ester?
The molecular weight of 5-Thiazolidineacetic acid, methyl ester is 360.97 g/mol.
Where can I buy 5-Thiazolidineacetic acid, methyl ester?
You can request a quote for 5-Thiazolidineacetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thiazolidineacetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Thiazolidineacetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.