(2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid
TL;DR: (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid (CAS 109218-72-6) is a chemical compound with molecular formula C13H11ClO4 and molecular weight 266.03458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z,4E)-4-[(4-chlorophenyl)methylidene]-3-methylpent-2-enedioic acid
Also Known As: (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid, (Z,4E)-4-[(4-chlorophenyl)methylidene]-3-methylpent-2-enedioic acid
Technical Specifications
| Molecular Formula | C13H11ClO4 |
| Molecular Weight | 266.03458 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.03458 Da |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
| SMILES | C/C(=C/C(=O)O)/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O |
| InChIKey | CYCPDBBDXDVQNH-FAWHLJIPSA-N |
Chemical Property Profile of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid
Property Insights of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid
The XLogP value of 3.1 indicates that (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid. Following Lipinski's Rule of Five, (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid?
The CAS number of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid is 109218-72-6.
What is the molecular formula of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid?
The molecular formula of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid is C13H11ClO4.
What is the molecular weight of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid?
The molecular weight of (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid is 266.03458 g/mol.
Where can I buy (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid?
You can request a quote for (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid?
Yes, CoreyChem provides custom synthesis services for (2Z,4E)-4-(4-chlorobenzylidene)-3-methylpent-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.