C22H13Cl2FO3
TL;DR: C22H13Cl2FO3 (CAS 846587-14-2) is a chemical compound with molecular formula C22H13Cl2FO3 and molecular weight 414.02 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]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
Also Known As: (2Z)-6-[(2-chlorobenzyl)oxy]-2-(2-chloro-6-fluorobenzylidene)-1-benzofuran-3(2H)-one, (Z)-2-(2-chloro-6-fluorobenzylidene)-6-((2-chlorobenzyl)oxy)benzofuran-3(2H)-one, 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-[(2-chlorophenyl)methoxy]benzofuran-3-one, 2-[(2-chloro-6-fluorophenyl)methylene]-6-[(2-chlorophenyl)methoxy]benzo[b]fura n-3-one, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
| Molecular Formula | C22H13Cl2FO3 |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 6.3277 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.02258 |
| Heavy Atoms | 28 |
| Complexity | 1088.436 |
Chemical Identifiers
| CAS Number | 846587-14-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/O3)Cl |
Product Overview
C22H13Cl2FO3 (CAS 846587-14-2), with molecular formula C22H13Cl2FO3 and molecular weight 414.02 g/mol. IUPAC: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one.
Chemical Property Profile of C22H13Cl2FO3
Property Insights of C22H13Cl2FO3
The XLogP value of 6.3277 indicates that C22H13Cl2FO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, C22H13Cl2FO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H13Cl2FO3 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H13Cl2FO3?
The CAS number of C22H13Cl2FO3 is 846587-14-2.
What is the molecular formula of C22H13Cl2FO3?
The molecular formula of C22H13Cl2FO3 is C22H13Cl2FO3.
What is the molecular weight of C22H13Cl2FO3?
The molecular weight of C22H13Cl2FO3 is 414.02 g/mol.
Where can I buy C22H13Cl2FO3?
You can request a quote for C22H13Cl2FO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H13Cl2FO3?
Yes, KEHONG BIO provides custom synthesis services for C22H13Cl2FO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.