6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one
TL;DR: 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one (CAS 861630-64-0) is a chemical compound with molecular formula C19H18O4S and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-4-[(4-methylsulfanylphenyl)methylidene]-1H-isochromen-3-one
Also Known As: 6,7-dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one, 6,7-dimethoxy-4-[(4-methylsulfanylphenyl)methylidene]-1H-isochromen-3-one
| Molecular Formula | C19H18O4S |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 4.0231 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.0926 |
| Heavy Atoms | 24 |
| Complexity | 793.7592 |
Chemical Identifiers
| CAS Number | 861630-64-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)COC(=O)C2=CC3=CC=C(C=C3)SC)OC |
Product Overview
6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one (CAS 861630-64-0), with molecular formula C19H18O4S and molecular weight 342.09 g/mol. IUPAC: 6,7-dimethoxy-4-[(4-methylsulfanylphenyl)methylidene]-1H-isochromen-3-one.
Chemical Property Profile of 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one
Property Insights of 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one
The XLogP value of 4.0231 indicates that 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-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, 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one has 0 hydrogen bond donor(s) and 5 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 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one?
The CAS number of 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one is 861630-64-0.
What is the molecular formula of 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one?
The molecular formula of 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one is C19H18O4S.
What is the molecular weight of 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one?
The molecular weight of 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one is 342.09 g/mol.
Where can I buy 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one?
You can request a quote for 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-4-(4-(methylthio)benzylidene)isochroman-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.