(1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester
TL;DR: (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester (CAS 58182-66-4) is a chemical compound with molecular formula C18H15ClO3 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(2-chlorophenyl)phenyl]-2-methylidene-4-oxobutanoate
Also Known As: (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester, Methyl 2-methylene-4-oxo-4-(4'-o-chlorophenylphenyl) butyrate, Methyl 2'-chloro-alpha-methylene-gamma-oxo-(1,1'-biphenyl)-4-butanoate, methyl 4-[4-(2-chlorophenyl)phenyl]-2-methylidene-4-oxobutanoate, Methyl 4-(2'-chloro[1,1'-biphenyl]-4-yl)-2-methylidene-4-oxobutanoate
| Molecular Formula | C18H15ClO3 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 4.309 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.07098 |
| Heavy Atoms | 22 |
| Complexity | 717.36707 |
Chemical Identifiers
| CAS Number | 58182-66-4 |
|---|---|
| SMILES | COC(=O)C(=C)CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2Cl |
Product Overview
(1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester (CAS 58182-66-4), with molecular formula C18H15ClO3 and molecular weight 314.07 g/mol. IUPAC: methyl 4-[4-(2-chlorophenyl)phenyl]-2-methylidene-4-oxobutanoate.
Chemical Property Profile of (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester
Property Insights of (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester
The XLogP value of 4.309 indicates that (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester has 0 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 (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester?
The CAS number of (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester is 58182-66-4.
What is the molecular formula of (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester?
The molecular formula of (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester is C18H15ClO3.
What is the molecular weight of (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester?
The molecular weight of (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester is 314.07 g/mol.
Where can I buy (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester?
You can request a quote for (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-butanoic acid, 2'-chloro-alpha-methylene-gamma-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.