Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester
TL;DR: Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester (CAS 67801-43-8) 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-methylphenyl) 3-oxo-3-phenylpropanoate
Also Known As: p-Tolyl 3-oxo-3-phenylpropionate, p-tolyl3-oxo-3-phenylpropionate, (4-methylphenyl) 3-oxo-3-phenylpropanoate, p-tolyl 3-oxo-3-phenylpropanoate, Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 67801-43-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CC(=O)C2=CC=CC=C2 |
| InChIKey | MWPINOUUZCUQDV-UHFFFAOYSA-N |
Product Overview
Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester (CAS 67801-43-8), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (4-methylphenyl) 3-oxo-3-phenylpropanoate.
Chemical Property Profile of Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester
Property Insights of Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester
The XLogP value of 3.5 indicates that Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester 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 Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester?
The CAS number of Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester is 67801-43-8.
What is the molecular formula of Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester?
The molecular formula of Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester is C16H14O3.
What is the molecular weight of Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester?
The molecular weight of Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester is 254.09 g/mol.
Where can I buy Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester?
You can request a quote for Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, beta-oxo-, 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.