4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one
TL;DR: 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one (CAS 862116-90-3) is a chemical compound with molecular formula C18H14Cl2O4 and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dichlorophenyl)methylidene]-6,7-dimethoxy-1H-isochromen-3-one
Also Known As: 4-(2,4-dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one, 4-[(2,4-dichlorophenyl)methylidene]-6,7-dimethoxy-1H-isochromen-3-one
| Molecular Formula | C18H14Cl2O4 |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 4.608 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.02692 |
| Heavy Atoms | 24 |
| Complexity | 843.15265 |
Chemical Identifiers
| CAS Number | 862116-90-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)COC(=O)C2=CC3=C(C=C(C=C3)Cl)Cl)OC |
Product Overview
4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one (CAS 862116-90-3), with molecular formula C18H14Cl2O4 and molecular weight 364.03 g/mol. IUPAC: 4-[(2,4-dichlorophenyl)methylidene]-6,7-dimethoxy-1H-isochromen-3-one.
Chemical Property Profile of 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one
Property Insights of 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one
The XLogP value of 4.608 indicates that 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one 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 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one?
The CAS number of 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one is 862116-90-3.
What is the molecular formula of 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one?
The molecular formula of 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one is C18H14Cl2O4.
What is the molecular weight of 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one?
The molecular weight of 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one is 364.03 g/mol.
Where can I buy 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one?
You can request a quote for 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dichlorobenzylidene)-6,7-dimethoxyisochroman-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.