2-Oxo-1,2-diphenylethyl 4-fluorobenzoate
TL;DR: 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate (CAS 313394-94-4) is a chemical compound with molecular formula C21H15FO3 and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,2-diphenylethyl) 4-fluorobenzoate
Also Known As: 2-oxo-1,2-diphenylethyl 4-fluorobenzoate, (2-oxo-1,2-diphenylethyl) 4-fluorobenzoate, AN-652/12623071
| Molecular Formula | C21H15FO3 |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 4.6067 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.10052 |
| Heavy Atoms | 25 |
| Complexity | 858.6626 |
Chemical Identifiers
| CAS Number | 313394-94-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)F |
Product Overview
2-Oxo-1,2-diphenylethyl 4-fluorobenzoate (CAS 313394-94-4), with molecular formula C21H15FO3 and molecular weight 334.10 g/mol. IUPAC: (2-oxo-1,2-diphenylethyl) 4-fluorobenzoate.
Chemical Property Profile of 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate
Property Insights of 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate
The XLogP value of 4.6067 indicates that 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate 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 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate?
The CAS number of 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate is 313394-94-4.
What is the molecular formula of 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate?
The molecular formula of 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate is C21H15FO3.
What is the molecular weight of 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate?
The molecular weight of 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate is 334.10 g/mol.
Where can I buy 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate?
You can request a quote for 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,2-diphenylethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.