![[2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate structure](/static/products/587/587839-44-9.png)
[2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
TL;DR: [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CAS 587839-44-9) is a chemical compound with molecular formula C18H13FO4 and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
Also Known As: 2-Benzofurancarboxylicacid,3-methyl-,2- -2-oxoethylester, [2-(4-fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate, 2-Benzofurancarboxylic acid, 3-methyl-, 2-(4-fluorophenyl)-2-oxoethyl ester (9CI)
| Molecular Formula | C18H13FO4 |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.92002 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.07977 |
| Heavy Atoms | 23 |
| Complexity | 877.6779 |
Chemical Identifiers
| CAS Number | 587839-44-9 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)F |
Product Overview
[2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CAS 587839-44-9), with molecular formula C18H13FO4 and molecular weight 312.08 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
Property Insights of [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
The XLogP value of 3.92002 indicates that [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 4 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-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The CAS number of [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is 587839-44-9.
What is the molecular formula of [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The molecular formula of [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is C18H13FO4.
What is the molecular weight of [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The molecular weight of [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is 312.08 g/mol.
Where can I buy [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
You can request a quote for [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-Fluorophenyl)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.