(Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
TL;DR: (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 641997-89-9) is a chemical compound with molecular formula C16H15NO4S2 and molecular weight 349.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, F1951-0237, 2-[(5Z)-4-OXO-5-{[4-(PROP-2-EN-1-YLOXY)PHENYL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID, 2-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 2-[4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic Acid
| Molecular Formula | C16H15NO4S2 |
|---|---|
| Molecular Weight | 349.04 g/mol |
| LogP | 2.9257 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.04425 |
| Heavy Atoms | 23 |
| Complexity | 681.82556 |
Chemical Identifiers
| CAS Number | 641997-89-9 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=O)/C(=C/C2=CC=C(C=C2)OCC=C)/SC1=S |
Product Overview
(Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 641997-89-9), with molecular formula C16H15NO4S2 and molecular weight 349.04 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
Property Insights of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
The XLogP value of 2.9257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic 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)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The CAS number of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 641997-89-9.
What is the molecular formula of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular formula of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is C16H15NO4S2.
What is the molecular weight of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular weight of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 349.04 g/mol.
Where can I buy (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
You can request a quote for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.