![4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid structure](/static/products/5818/58182-67-5.webp)
4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid
TL;DR: 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid (CAS 58182-67-5) is a chemical compound with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid
Also Known As: F 1439, 2-Methyl-4-oxo-4-(4'-o-chlorophenylphenyl)-2-butenoic acid, (E)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxo-but-2-enoic acid, 4-(2'-Chloro(1,1'-biphenyl)-4-yl)-2-methyl-4-oxo-2-butenoic acid, 4-[4-(2-CHLOROPHENYL)PHENYL]-2-METHYL-4-OXOBUT-2-ENOIC ACID
| Molecular Formula | C17H13ClO3 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.05533 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 58182-67-5 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O |
| InChIKey | PPNXEQJVVYPABW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid (CAS 58182-67-5), with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol. IUPAC: 4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid
Property Insights of 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid
The XLogP value of 4.3 indicates that 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid has 1 hydrogen bond donor(s) and 3 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-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid?
The CAS number of 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid is 58182-67-5.
What is the molecular formula of 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid?
The molecular formula of 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid is C17H13ClO3.
What is the molecular weight of 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid?
The molecular weight of 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid is 300.06 g/mol.
Where can I buy 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid?
You can request a quote for 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic 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-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.