4-Benzoyl-4-phenylbutyric acid
TL;DR: 4-Benzoyl-4-phenylbutyric acid (CAS 4258-41-7) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-4,5-diphenylpentanoic acid
Also Known As: 4-Benzoyl-4-phenylbutyric acid, 5-oxo-4,5-diphenylpentanoic acid, 5-Oxo-4,5-diphenyl-valeriansaeure, 5-oxo-4,5-diphenyl-pentanoic Acid, 5-oxo-4,5-diphenylpentanoic acid (en)Benzenepentanoic acid,
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.5179 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 575.6988 |
Chemical Identifiers
| CAS Number | 4258-41-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCC(=O)O)C(=O)C2=CC=CC=C2 |
Product Overview
4-Benzoyl-4-phenylbutyric acid (CAS 4258-41-7), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: 5-oxo-4,5-diphenylpentanoic acid.
Chemical Property Profile of 4-Benzoyl-4-phenylbutyric acid
Property Insights of 4-Benzoyl-4-phenylbutyric acid
The XLogP value of 3.5179 indicates that 4-Benzoyl-4-phenylbutyric 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-Benzoyl-4-phenylbutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzoyl-4-phenylbutyric 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-Benzoyl-4-phenylbutyric acid?
The CAS number of 4-Benzoyl-4-phenylbutyric acid is 4258-41-7.
What is the molecular formula of 4-Benzoyl-4-phenylbutyric acid?
The molecular formula of 4-Benzoyl-4-phenylbutyric acid is C17H16O3.
What is the molecular weight of 4-Benzoyl-4-phenylbutyric acid?
The molecular weight of 4-Benzoyl-4-phenylbutyric acid is 268.11 g/mol.
Where can I buy 4-Benzoyl-4-phenylbutyric acid?
You can request a quote for 4-Benzoyl-4-phenylbutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoyl-4-phenylbutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoyl-4-phenylbutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.