(Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid
TL;DR: (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid (CAS 847247-19-2) is a chemical compound with molecular formula C18H17NO6S2 and molecular weight 407.05 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]pentanedioic acid
Also Known As: (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid, F1951-0246, 2-[(5Z)-4-OXO-5-{[4-(PROP-2-EN-1-YLOXY)PHENYL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PENTANEDIOIC ACID, 2-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid, 2-{4-oxo-5-[(4-prop-2-enyloxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-3-yl}p entanedioic acid
| Molecular Formula | C18H17NO6S2 |
|---|---|
| Molecular Weight | 407.05 g/mol |
| LogP | 2.7706 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 407.04974 |
| Heavy Atoms | 27 |
| Complexity | 802.5748 |
Chemical Identifiers
| CAS Number | 847247-19-2 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O |
Product Overview
(Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid (CAS 847247-19-2), with molecular formula C18H17NO6S2 and molecular weight 407.05 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid.
Chemical Property Profile of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid
Property Insights of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid
The XLogP value of 2.7706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid. Following Lipinski's Rule of Five, (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid has 2 hydrogen bond donor(s) and 6 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)pentanedioic acid?
The CAS number of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid is 847247-19-2.
What is the molecular formula of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid?
The molecular formula of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid is C18H17NO6S2.
What is the molecular weight of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid?
The molecular weight of (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid is 407.05 g/mol.
Where can I buy (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid?
You can request a quote for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic 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)pentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(5-(4-(allyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)pentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.