(E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid (CAS 315692-28-5) is a chemical compound with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid, AB00115430-01, F0825-0338, 4-[(5E)-4-oxo-5-(pyridin-2-ylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C13H12N2O3S2 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 2.1476 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.02893 |
| Heavy Atoms | 20 |
| Complexity | 572.23883 |
Chemical Identifiers
| CAS Number | 315692-28-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
(E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid (CAS 315692-28-5), with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol. IUPAC: 4-[(5E)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 2.1476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic 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 (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid is 315692-28-5.
What is the molecular formula of (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid is C13H12N2O3S2.
What is the molecular weight of (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid is 308.03 g/mol.
Where can I buy (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-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 (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.