(Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate
TL;DR: (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate (CAS 845985-93-5) is a chemical compound with molecular formula C20H17ClFNO4 and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate
Also Known As: (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate, F3139-2287, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl N,N-diethylcarbamate, [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate, (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl diethylcarbamate
| Molecular Formula | C20H17ClFNO4 |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 4.9359 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.083 |
| Heavy Atoms | 27 |
| Complexity | 917.3241 |
Chemical Identifiers
| CAS Number | 845985-93-5 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/O2 |
Product Overview
(Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate (CAS 845985-93-5), with molecular formula C20H17ClFNO4 and molecular weight 389.08 g/mol. IUPAC: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate.
Chemical Property Profile of (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate
Property Insights of (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate
The XLogP value of 4.9359 indicates that (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate 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 (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate?
The CAS number of (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate is 845985-93-5.
What is the molecular formula of (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate?
The molecular formula of (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate is C20H17ClFNO4.
What is the molecular weight of (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate?
The molecular weight of (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate is 389.08 g/mol.
Where can I buy (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate?
You can request a quote for (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl diethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.