2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate
TL;DR: 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate (CAS 436840-79-8) is a chemical compound with molecular formula C15H9Cl2FO3 and molecular weight 325.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-fluorobenzoate
Also Known As: 2-(3,4-dichlorophenyl)-2-oxoethyl 4-fluorobenzoate, [2-(3,4-dichlorophenyl)-2-oxoethyl] 4-fluorobenzoate
| Molecular Formula | C15H9Cl2FO3 |
|---|---|
| Molecular Weight | 325.99 g/mol |
| LogP | 4.1722 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.99127 |
| Heavy Atoms | 21 |
| Complexity | 683.8181 |
Chemical Identifiers
| CAS Number | 436840-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)Cl)F |
Product Overview
2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate (CAS 436840-79-8), with molecular formula C15H9Cl2FO3 and molecular weight 325.99 g/mol. IUPAC: [2-(3,4-dichlorophenyl)-2-oxoethyl] 4-fluorobenzoate.
Chemical Property Profile of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate
Property Insights of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate
The XLogP value of 4.1722 indicates that 2-(3,4-Dichlorophenyl)-2-oxoethyl 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-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dichlorophenyl)-2-oxoethyl 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-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate?
The CAS number of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate is 436840-79-8.
What is the molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate?
The molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate is C15H9Cl2FO3.
What is the molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate?
The molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate is 325.99 g/mol.
Where can I buy 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate?
You can request a quote for 2-(3,4-Dichlorophenyl)-2-oxoethyl 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-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichlorophenyl)-2-oxoethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.