C22H18ClFO4
TL;DR: C22H18ClFO4 (CAS 846029-80-9) is a chemical compound with molecular formula C22H18ClFO4 and molecular weight 400.09 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] cyclohexanecarboxylate
Also Known As: 2-[(6-chloro-2-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl cyclohexane carboxylate, (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate, (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate, [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate
| Molecular Formula | C22H18ClFO4 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 5.581 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.08777 |
| Heavy Atoms | 28 |
| Complexity | 956.2472 |
Chemical Identifiers
| CAS Number | 846029-80-9 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=C(C=CC=C4Cl)F)/O3 |
Product Overview
C22H18ClFO4 (CAS 846029-80-9), with molecular formula C22H18ClFO4 and molecular weight 400.09 g/mol. IUPAC: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate.
Chemical Property Profile of C22H18ClFO4
Property Insights of C22H18ClFO4
The XLogP value of 5.581 indicates that C22H18ClFO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C22H18ClFO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H18ClFO4 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 C22H18ClFO4?
The CAS number of C22H18ClFO4 is 846029-80-9.
What is the molecular formula of C22H18ClFO4?
The molecular formula of C22H18ClFO4 is C22H18ClFO4.
What is the molecular weight of C22H18ClFO4?
The molecular weight of C22H18ClFO4 is 400.09 g/mol.
Where can I buy C22H18ClFO4?
You can request a quote for C22H18ClFO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H18ClFO4?
Yes, KEHONG BIO provides custom synthesis services for C22H18ClFO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.