2-(4-Methylphenyl)-2-oxoethyl benzoate
TL;DR: 2-(4-Methylphenyl)-2-oxoethyl benzoate (CAS 5229-48-1) 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.
[2-(4-methylphenyl)-2-oxoethyl] benzoate
Also Known As: 2-(4-Methylphenyl)-2-oxoethyl benzoate, [2-(4-methylphenyl)-2-oxoethyl] benzoate, BIM-0012093.P001, J2.194.757A, Benzoic acid 2-oxo-2-(4-methylphenyl)ethyl ester
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.03472 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 570.7029 |
Chemical Identifiers
| CAS Number | 5229-48-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2 |
Product Overview
2-(4-Methylphenyl)-2-oxoethyl benzoate (CAS 5229-48-1), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] benzoate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxoethyl benzoate
Property Insights of 2-(4-Methylphenyl)-2-oxoethyl benzoate
The XLogP value of 3.03472 indicates that 2-(4-Methylphenyl)-2-oxoethyl 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-(4-Methylphenyl)-2-oxoethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxoethyl benzoate 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-(4-Methylphenyl)-2-oxoethyl benzoate?
The CAS number of 2-(4-Methylphenyl)-2-oxoethyl benzoate is 5229-48-1.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxoethyl benzoate?
The molecular formula of 2-(4-Methylphenyl)-2-oxoethyl benzoate is C16H14O3.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxoethyl benzoate?
The molecular weight of 2-(4-Methylphenyl)-2-oxoethyl benzoate is 254.09 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxoethyl benzoate?
You can request a quote for 2-(4-Methylphenyl)-2-oxoethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)-2-oxoethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxoethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.