2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid
TL;DR: 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid (CAS 794510-29-5) is a chemical compound with molecular formula C15H13NO4S and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
Also Known As: Epalrestat Oxide, Epalrestat Impurity 8, Epalrestat Impurity 3, 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid, AE-641/40198119
| Molecular Formula | C15H13NO4S |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 2.7538 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.05652 |
| Heavy Atoms | 21 |
| Complexity | 648.8973 |
Chemical Identifiers
| CAS Number | 794510-29-5 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O |
Product Overview
2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid (CAS 794510-29-5), with molecular formula C15H13NO4S and molecular weight 303.06 g/mol. IUPAC: 2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid
Property Insights of 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid
The XLogP value of 2.7538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid. Following Lipinski's Rule of Five, 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid has 1 hydrogen bond donor(s) and 4 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 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid?
The CAS number of 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid is 794510-29-5.
What is the molecular formula of 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid?
The molecular formula of 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid is C15H13NO4S.
What is the molecular weight of 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid?
The molecular weight of 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid is 303.06 g/mol.
Where can I buy 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid?
You can request a quote for 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Z)-5-((E)-2-methyl-3-phenylallylidene)-2,4-dioxothiazolidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.