![6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid structure](/static/products/6419/641997-87-7.webp)
6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
TL;DR: 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid (CAS 641997-87-7) is a chemical compound with molecular formula C19H21NO4S2 and molecular weight 391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid, (Z)-6-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, 6-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, 6-[4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic Acid, 6-{4-oxo-5-[(4-prop-2-enyloxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-3-yl}h exanoic acid
| Molecular Formula | C19H21NO4S2 |
|---|---|
| Molecular Weight | 391.09 g/mol |
| LogP | 4.0976 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 391.0912 |
| Heavy Atoms | 26 |
| Complexity | 712.7542 |
Chemical Identifiers
| CAS Number | 641997-87-7 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)O |
Product Overview
6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid (CAS 641997-87-7), with molecular formula C19H21NO4S2 and molecular weight 391.09 g/mol. IUPAC: 6-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid.
Chemical Property Profile of 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
Property Insights of 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
The XLogP value of 4.0976 indicates that 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic 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 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid. Following Lipinski's Rule of Five, 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic 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 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid?
The CAS number of 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid is 641997-87-7.
What is the molecular formula of 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid?
The molecular formula of 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid is C19H21NO4S2.
What is the molecular weight of 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid?
The molecular weight of 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid is 391.09 g/mol.
Where can I buy 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid?
You can request a quote for 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-{(5Z)-4-oxo-5-[4-(prop-2-en-1-yloxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.