C19H14ClFO4
TL;DR: C19H14ClFO4 (CAS 896069-80-0) is a chemical compound with molecular formula C19H14ClFO4 and molecular weight 360.06 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-methylpropanoate
Also Known As: (Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl isobutyrate, 2-[(6-chloro-2-fluorophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 2-methylpro panoate, (2Z)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2-methylpropanoate, [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate
| Molecular Formula | C19H14ClFO4 |
|---|---|
| Molecular Weight | 360.06 g/mol |
| LogP | 4.6567 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.05646 |
| Heavy Atoms | 25 |
| Complexity | 882.04224 |
Chemical Identifiers
| CAS Number | 896069-80-0 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=C(C=CC=C3Cl)F)/O2 |
Product Overview
C19H14ClFO4 (CAS 896069-80-0), with molecular formula C19H14ClFO4 and molecular weight 360.06 g/mol. IUPAC: [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methylpropanoate.
Chemical Property Profile of C19H14ClFO4
Property Insights of C19H14ClFO4
The XLogP value of 4.6567 indicates that C19H14ClFO4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C19H14ClFO4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H14ClFO4 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 C19H14ClFO4?
The CAS number of C19H14ClFO4 is 896069-80-0.
What is the molecular formula of C19H14ClFO4?
The molecular formula of C19H14ClFO4 is C19H14ClFO4.
What is the molecular weight of C19H14ClFO4?
The molecular weight of C19H14ClFO4 is 360.06 g/mol.
Where can I buy C19H14ClFO4?
You can request a quote for C19H14ClFO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H14ClFO4?
Yes, KEHONG BIO provides custom synthesis services for C19H14ClFO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.