(Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid (CAS 302552-13-2) is a chemical compound with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid, F0720-0044, 3-methyl-2-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 3-methyl-2-[(5Z)-4-oxo-5-[(pyridin-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 3-methyl-2-[4-oxo-5-(2-pyridylmethylene)-2-thioxo(1,3-thiazolidin-3-yl)]butano ic acid
| Molecular Formula | C14H14N2O3S2 |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 2.392 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0446 |
| Heavy Atoms | 21 |
| Complexity | 613.90497 |
Chemical Identifiers
| CAS Number | 302552-13-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC=CC=N2)/SC1=S |
Product Overview
(Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid (CAS 302552-13-2), with molecular formula C14H14N2O3S2 and molecular weight 322.04 g/mol. IUPAC: 3-methyl-2-[(5Z)-4-oxo-5-(pyridin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 2.392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-methyl-2-(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 (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, (Z)-3-methyl-2-(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 (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid is 302552-13-2.
What is the molecular formula of (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid is C14H14N2O3S2.
What is the molecular weight of (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid is 322.04 g/mol.
Where can I buy (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for (Z)-3-methyl-2-(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 (Z)-3-methyl-2-(4-oxo-5-(pyridin-2-ylmethylene)-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-methyl-2-(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.