2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate
TL;DR: 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate (CAS 516467-12-2) is a chemical compound with molecular formula C23H20O3 and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] benzoate
Also Known As: 2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl benzoate, [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] benzoate, AJ-292/41945098
| Molecular Formula | C23H20O3 |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 5.08444 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.14124 |
| Heavy Atoms | 26 |
| Complexity | 914.6977 |
Chemical Identifiers
| CAS Number | 516467-12-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C |
Product Overview
2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate (CAS 516467-12-2), with molecular formula C23H20O3 and molecular weight 344.14 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] benzoate.
Chemical Property Profile of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate
Property Insights of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate
The XLogP value of 5.08444 indicates that 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate 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-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate?
The CAS number of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate is 516467-12-2.
What is the molecular formula of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate?
The molecular formula of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate is C23H20O3.
What is the molecular weight of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate?
The molecular weight of 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate is 344.14 g/mol.
Where can I buy 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate?
You can request a quote for 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylphenyl)-2-oxo-1-phenylethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.