4-(4-Chlorophenyl)-2-oxo-3-butenoic acid
TL;DR: 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid (CAS 3336-65-0) is a chemical compound with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-chlorophenyl)-2-oxobut-3-enoic acid
Also Known As: 4-Cpob, 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid, (E)-4-(4-chlorophenyl)-2-oxobut-3-enoic acid, p-chlorobenzylidenepyruvic acid, 4-chlorobenzylidenepyruvic acid
| Molecular Formula | C10H7ClO3 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.0069 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.00838 |
| Heavy Atoms | 14 |
| Complexity | 378.85852 |
Chemical Identifiers
| CAS Number | 3336-65-0 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)C(=O)O)Cl |
Product Overview
4-(4-Chlorophenyl)-2-oxo-3-butenoic acid (CAS 3336-65-0), with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol. IUPAC: (E)-4-(4-chlorophenyl)-2-oxobut-3-enoic acid.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid
Property Insights of 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid
The XLogP value of 2.0069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid has 1 hydrogen bond donor(s) and 2 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 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid?
The CAS number of 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid is 3336-65-0.
What is the molecular formula of 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid?
The molecular formula of 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid is C10H7ClO3.
What is the molecular weight of 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid?
The molecular weight of 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid is 210.01 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid?
You can request a quote for 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-oxo-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.