(E)-4-benzylidene-6,7-dimethoxyisochroman-3-one
TL;DR: (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one (CAS 77140-25-1) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-benzylidene-6,7-dimethoxy-1H-isochromen-3-one
Also Known As: AB00079503-01, (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one, (4E)-4-benzylidene-6,7-dimethoxy-1H-isochromen-3-one, 4-benzylidene-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 3.3012 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 732.25244 |
Chemical Identifiers
| CAS Number | 77140-25-1 |
|---|---|
| SMILES | COC1=C(C=C\2C(=C1)COC(=O)/C2=C/C3=CC=CC=C3)OC |
Product Overview
(E)-4-benzylidene-6,7-dimethoxyisochroman-3-one (CAS 77140-25-1), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: (4E)-4-benzylidene-6,7-dimethoxy-1H-isochromen-3-one.
Chemical Property Profile of (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one
Property Insights of (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one
The XLogP value of 3.3012 indicates that (E)-4-benzylidene-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, (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-benzylidene-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 (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one?
The CAS number of (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one is 77140-25-1.
What is the molecular formula of (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one?
The molecular formula of (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one is C18H16O4.
What is the molecular weight of (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one?
The molecular weight of (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one is 296.10 g/mol.
Where can I buy (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one?
You can request a quote for (E)-4-benzylidene-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 (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-benzylidene-6,7-dimethoxyisochroman-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.