4-Oxo-3,4-diphenylbutanoic acid
TL;DR: 4-Oxo-3,4-diphenylbutanoic acid (CAS 6969-42-2) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3,4-diphenylbutanoic acid
Also Known As: 4-oxo-3,4-diphenylbutanoic acid, 4-Oxo-3,4-diphenylbutyric acid, RefChem:295233
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 6969-42-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)C(=O)C2=CC=CC=C2 |
| InChIKey | UPIUBJLNVKULID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-3,4-diphenylbutanoic acid (CAS 6969-42-2), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: 4-oxo-3,4-diphenylbutanoic acid.
Chemical Property Profile of 4-Oxo-3,4-diphenylbutanoic acid
Property Insights of 4-Oxo-3,4-diphenylbutanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-3,4-diphenylbutanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxo-3,4-diphenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-3,4-diphenylbutanoic 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 4-Oxo-3,4-diphenylbutanoic acid?
The CAS number of 4-Oxo-3,4-diphenylbutanoic acid is 6969-42-2.
What is the molecular formula of 4-Oxo-3,4-diphenylbutanoic acid?
The molecular formula of 4-Oxo-3,4-diphenylbutanoic acid is C16H14O3.
What is the molecular weight of 4-Oxo-3,4-diphenylbutanoic acid?
The molecular weight of 4-Oxo-3,4-diphenylbutanoic acid is 254.09 g/mol.
Where can I buy 4-Oxo-3,4-diphenylbutanoic acid?
You can request a quote for 4-Oxo-3,4-diphenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-3,4-diphenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-3,4-diphenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.