5-Ethyl-2-methylphenyl 4-fluorobenzoate
TL;DR: 5-Ethyl-2-methylphenyl 4-fluorobenzoate (CAS 723261-46-9) is a chemical compound with molecular formula C16H15FO2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-2-methylphenyl) 4-fluorobenzoate
Also Known As: 5-ethyl-2-methylphenyl 4-fluorobenzoate, (5-ethyl-2-methylphenyl) 4-fluorobenzoate, AN-652/42917562
| Molecular Formula | C16H15FO2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 3.91572 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.10562 |
| Heavy Atoms | 19 |
| Complexity | 588.198 |
Chemical Identifiers
| CAS Number | 723261-46-9 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)F |
Product Overview
5-Ethyl-2-methylphenyl 4-fluorobenzoate (CAS 723261-46-9), with molecular formula C16H15FO2 and molecular weight 258.11 g/mol. IUPAC: (5-ethyl-2-methylphenyl) 4-fluorobenzoate.
Chemical Property Profile of 5-Ethyl-2-methylphenyl 4-fluorobenzoate
Property Insights of 5-Ethyl-2-methylphenyl 4-fluorobenzoate
The XLogP value of 3.91572 indicates that 5-Ethyl-2-methylphenyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Ethyl-2-methylphenyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-2-methylphenyl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 2 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 5-Ethyl-2-methylphenyl 4-fluorobenzoate?
The CAS number of 5-Ethyl-2-methylphenyl 4-fluorobenzoate is 723261-46-9.
What is the molecular formula of 5-Ethyl-2-methylphenyl 4-fluorobenzoate?
The molecular formula of 5-Ethyl-2-methylphenyl 4-fluorobenzoate is C16H15FO2.
What is the molecular weight of 5-Ethyl-2-methylphenyl 4-fluorobenzoate?
The molecular weight of 5-Ethyl-2-methylphenyl 4-fluorobenzoate is 258.11 g/mol.
Where can I buy 5-Ethyl-2-methylphenyl 4-fluorobenzoate?
You can request a quote for 5-Ethyl-2-methylphenyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-2-methylphenyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2-methylphenyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.