C22H11Cl2FO4
TL;DR: C22H11Cl2FO4 (CAS 847036-33-3) is a chemical compound with molecular formula C22H11Cl2FO4 and molecular weight 428.00 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] 2-chlorobenzoate
Also Known As: (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 2-chlorobenzoate, [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate, [2-[(2-chloro-6-fluoro-phenyl)methylidene]-3-oxo-benzofuran-6-yl] 2-chlorobenzoate, 2-[(6-chloro-2-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-chloroben zoate, (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-chlorobenzoate
| Molecular Formula | C22H11Cl2FO4 |
|---|---|
| Molecular Weight | 428.00 g/mol |
| LogP | 5.9679 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.00183 |
| Heavy Atoms | 29 |
| Complexity | 1166.9298 |
Chemical Identifiers
| CAS Number | 847036-33-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/O3)Cl |
Product Overview
C22H11Cl2FO4 (CAS 847036-33-3), with molecular formula C22H11Cl2FO4 and molecular weight 428.00 g/mol. IUPAC: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-chlorobenzoate.
Chemical Property Profile of C22H11Cl2FO4
Property Insights of C22H11Cl2FO4
The XLogP value of 5.9679 indicates that C22H11Cl2FO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C22H11Cl2FO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H11Cl2FO4 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H11Cl2FO4?
The CAS number of C22H11Cl2FO4 is 847036-33-3.
What is the molecular formula of C22H11Cl2FO4?
The molecular formula of C22H11Cl2FO4 is C22H11Cl2FO4.
What is the molecular weight of C22H11Cl2FO4?
The molecular weight of C22H11Cl2FO4 is 428.00 g/mol.
Where can I buy C22H11Cl2FO4?
You can request a quote for C22H11Cl2FO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H11Cl2FO4?
Yes, KEHONG BIO provides custom synthesis services for C22H11Cl2FO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.