2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate
TL;DR: 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate (CAS 313394-87-5) is a chemical compound with molecular formula C17H15FO3 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-fluorobenzoate
Also Known As: 2-(3,4-dimethylphenyl)-2-oxoethyl 4-fluorobenzoate, [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-fluorobenzoate
| Molecular Formula | C17H15FO3 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.48224 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.10052 |
| Heavy Atoms | 21 |
| Complexity | 674.93463 |
Chemical Identifiers
| CAS Number | 313394-87-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)F)C |
Product Overview
2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate (CAS 313394-87-5), with molecular formula C17H15FO3 and molecular weight 286.10 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-fluorobenzoate.
Chemical Property Profile of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate
Property Insights of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate
The XLogP value of 3.48224 indicates that 2-(3,4-Dimethylphenyl)-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-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dimethylphenyl)-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-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate?
The CAS number of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate is 313394-87-5.
What is the molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate?
The molecular formula of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate is C17H15FO3.
What is the molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate?
The molecular weight of 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate is 286.10 g/mol.
Where can I buy 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate?
You can request a quote for 2-(3,4-Dimethylphenyl)-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-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylphenyl)-2-oxoethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.