(Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one
TL;DR: (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one (CAS 42086-72-6) is a chemical compound with molecular formula C15H8Cl2O2 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
Also Known As: (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one, 1E-046, (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one, (3Z)-3-[(2,4-dichlorophenyl)methylene]isobenzofuran-1-one, (3Z)-3-[(2,4-dichlorophenyl)methylidene]-1,3-dihydro-2-benzofuran-1-one
| Molecular Formula | C15H8Cl2O2 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 4.6619 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.99014 |
| Heavy Atoms | 19 |
| Complexity | 705.0418 |
Chemical Identifiers
| CAS Number | 42086-72-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/C3=C(C=C(C=C3)Cl)Cl)/OC2=O |
Product Overview
(Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one (CAS 42086-72-6), with molecular formula C15H8Cl2O2 and molecular weight 289.99 g/mol. IUPAC: (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one
Property Insights of (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one
The XLogP value of 4.6619 indicates that (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one has 0 hydrogen bond donor(s) and 2 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 (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one?
The CAS number of (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one is 42086-72-6.
What is the molecular formula of (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one?
The molecular formula of (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one is C15H8Cl2O2.
What is the molecular weight of (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one?
The molecular weight of (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one is 289.99 g/mol.
Where can I buy (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one?
You can request a quote for (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(2,4-dichlorobenzylidene)isobenzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.