2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid
TL;DR: 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid (CAS 58182-63-1) 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-methylidene-4-oxobutanoic acid
Also Known As: Itanoxone, Itanoxonum, Itanoxona, Itanoxono, Itanoxone [INN]
| Molecular Formula | C17H13ClO3 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.05533 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 58182-63-1 |
|---|---|
| SMILES | C=C(CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2Cl)C(=O)O |
| InChIKey | HJWLWNLAIBFKDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid (CAS 58182-63-1), with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol. IUPAC: 4-[4-(2-chlorophenyl)phenyl]-2-methylidene-4-oxobutanoic acid.
Chemical Property Profile of 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid
Property Insights of 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid
The XLogP value of 3.3 indicates that 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic 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, 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic 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 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid?
The CAS number of 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid is 58182-63-1.
What is the molecular formula of 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid?
The molecular formula of 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid is C17H13ClO3.
What is the molecular weight of 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid?
The molecular weight of 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid is 300.06 g/mol.
Where can I buy 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid?
You can request a quote for 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2'-Chloro-alpha-methylene-gamma-oxo(1,1'-biphenyl)-4-butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.