4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid
TL;DR: 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid (CAS 301688-76-6) is a chemical compound with molecular formula C12H11NO3S3 and molecular weight 312.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00786533, 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid, 4-[(5Z)-4-Oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid, (Z)-4-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid
| Molecular Formula | C12H11NO3S3 |
|---|---|
| Molecular Weight | 312.99 g/mol |
| LogP | 2.8141 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.9901 |
| Heavy Atoms | 19 |
| Complexity | 536.4243 |
Chemical Identifiers
| CAS Number | 301688-76-6 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid (CAS 301688-76-6), with molecular formula C12H11NO3S3 and molecular weight 312.99 g/mol. IUPAC: 4-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid
Property Insights of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid
The XLogP value of 2.8141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid. With a topological polar surface area (TPSA) of 57.61 Ų, 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric 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
Frequently Asked Questions
What is the CAS number of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid?
The CAS number of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid is 301688-76-6.
What is the molecular formula of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid?
The molecular formula of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid is C12H11NO3S3.
What is the molecular weight of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid?
The molecular weight of 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid is 312.99 g/mol.
Where can I buy 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid?
You can request a quote for 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.