2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate
TL;DR: 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate (CAS 355436-06-5) is a chemical compound with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)-2-oxoethyl] 3-chlorobenzoate
Also Known As: 2-(4-methylphenyl)-2-oxoethyl 3-chlorobenzoate, 2-oxo-2-(p-tolyl)ethyl 3-chlorobenzoate, [2-(4-methylphenyl)-2-oxoethyl] 3-chlorobenzoate
| Molecular Formula | C16H13ClO3 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.68812 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05533 |
| Heavy Atoms | 20 |
| Complexity | 632.4252 |
Chemical Identifiers
| CAS Number | 355436-06-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)Cl |
Product Overview
2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate (CAS 355436-06-5), with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol. IUPAC: [2-(4-methylphenyl)-2-oxoethyl] 3-chlorobenzoate.
Chemical Property Profile of 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate
Property Insights of 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate
The XLogP value of 3.68812 indicates that 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate 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 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate 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 3-chlorobenzoate?
The CAS number of 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate is 355436-06-5.
What is the molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate?
The molecular formula of 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate is C16H13ClO3.
What is the molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate?
The molecular weight of 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate is 288.06 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate?
You can request a quote for 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate 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 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-oxoethyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.