![2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one structure](/static/products/896/896593-83-2.png)
2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one
TL;DR: 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one (CAS 896593-83-2) is a chemical compound with molecular formula C21H19ClFNO3 and molecular weight 387.10 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-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one
Also Known As: 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one, 2-[(2-chloro-6-fluorophenyl)methylene]-6-hydroxy-7-(piperidylmethyl)benzo[b]fu ran-3-one, (2Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3(2H)-one, (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one, (Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-(piperidin-1-ylmethyl)benzofuran-3(2H)-one
| Molecular Formula | C21H19ClFNO3 |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 4.7868 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.10376 |
| Heavy Atoms | 27 |
| Complexity | 915.0142 |
Chemical Identifiers
| CAS Number | 896593-83-2 |
|---|---|
| SMILES | C1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CC=C4Cl)F)/C3=O)O |
Product Overview
2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one (CAS 896593-83-2), with molecular formula C21H19ClFNO3 and molecular weight 387.10 g/mol. IUPAC: (2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one.
Chemical Property Profile of 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one
Property Insights of 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one
The XLogP value of 4.7868 indicates that 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one has 1 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 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one?
The CAS number of 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one is 896593-83-2.
What is the molecular formula of 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one?
The molecular formula of 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one is C21H19ClFNO3.
What is the molecular weight of 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one?
The molecular weight of 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one is 387.10 g/mol.
Where can I buy 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one?
You can request a quote for 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chloro-6-fluoro-phenyl)methylidene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.