4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid
TL;DR: 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid (CAS 70596-91-7) is a chemical compound with molecular formula C18H17ClO3 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid
Also Known As: 4-(4-chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid, 4-(4-chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoicacid, 4-(4-chlorophenyl)-2-(4-ethylphenyl)-4-oxo-butanoic acid, 4-Chloro-I+/--(4-ethylphenyl)-I(3)-oxobenzenebutanoic acid
| Molecular Formula | C18H17ClO3 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 4.3436 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.0866 |
| Heavy Atoms | 22 |
| Complexity | 659.7366 |
Chemical Identifiers
| CAS Number | 70596-91-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid (CAS 70596-91-7), with molecular formula C18H17ClO3 and molecular weight 316.09 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid
Property Insights of 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid
The XLogP value of 4.3436 indicates that 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic 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-(4-ethylphenyl)-4-oxobutanoic acid?
The CAS number of 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid is 70596-91-7.
What is the molecular formula of 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid?
The molecular formula of 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid is C18H17ClO3.
What is the molecular weight of 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid?
The molecular weight of 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid is 316.09 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid?
You can request a quote for 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic 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-(4-ethylphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-(4-ethylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.