2-Benzyl-4-oxo-4-phenyl-butanoic acid
TL;DR: 2-Benzyl-4-oxo-4-phenyl-butanoic acid (CAS 104905-00-2) 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.
2-benzyl-4-oxo-4-phenylbutanoic acid
Also Known As: 2-benzyl-4-oxo-4-phenylbutanoic acid, 2-Benzyl-4-oxo-4-phenyl-butanoic acid
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 104905-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CC(=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | QPORTTBGWVROJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-4-oxo-4-phenyl-butanoic acid (CAS 104905-00-2), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: 2-benzyl-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-Benzyl-4-oxo-4-phenyl-butanoic acid
Property Insights of 2-Benzyl-4-oxo-4-phenyl-butanoic acid
The XLogP value of 3.0 indicates that 2-Benzyl-4-oxo-4-phenyl-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-Benzyl-4-oxo-4-phenyl-butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-oxo-4-phenyl-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-Benzyl-4-oxo-4-phenyl-butanoic acid?
The CAS number of 2-Benzyl-4-oxo-4-phenyl-butanoic acid is 104905-00-2.
What is the molecular formula of 2-Benzyl-4-oxo-4-phenyl-butanoic acid?
The molecular formula of 2-Benzyl-4-oxo-4-phenyl-butanoic acid is C17H16O3.
What is the molecular weight of 2-Benzyl-4-oxo-4-phenyl-butanoic acid?
The molecular weight of 2-Benzyl-4-oxo-4-phenyl-butanoic acid is 268.11 g/mol.
Where can I buy 2-Benzyl-4-oxo-4-phenyl-butanoic acid?
You can request a quote for 2-Benzyl-4-oxo-4-phenyl-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-Benzyl-4-oxo-4-phenyl-butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-oxo-4-phenyl-butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.