(Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 641997-85-5) is a chemical compound with molecular formula C17H17NO4S2 and molecular weight 363.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, F1951-0235, 4-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5Z)-4-OXO-5-{[4-(PROP-2-EN-1-YLOXY)PHENYL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID, 4-[4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic Acid
| Molecular Formula | C17H17NO4S2 |
|---|---|
| Molecular Weight | 363.06 g/mol |
| LogP | 3.3174 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.0599 |
| Heavy Atoms | 24 |
| Complexity | 682.3359 |
Chemical Identifiers
| CAS Number | 641997-85-5 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)O |
Product Overview
(Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 641997-85-5), with molecular formula C17H17NO4S2 and molecular weight 363.06 g/mol. IUPAC: 4-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 3.3174 indicates that (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-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)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 641997-85-5.
What is the molecular formula of (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C17H17NO4S2.
What is the molecular weight of (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 363.06 g/mol.
Where can I buy (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-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)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.