6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one
TL;DR: 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one (CAS 840462-56-8) is a chemical compound with molecular formula C25H25NO3 and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3-one
Also Known As: 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one, 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3-one, 6,7-diethoxy-1,2-diphenyl-1,2-dihydroisoquinolin-3(4H)-one, 6,7-Diethoxy-1,2-diphenyl-1,4-dihydro-2H-isoquinolin-3-one
| Molecular Formula | C25H25NO3 |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 5.1627 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.18344 |
| Heavy Atoms | 29 |
| Complexity | 985.71014 |
Chemical Identifiers
| CAS Number | 840462-56-8 |
|---|---|
| SMILES | CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=CC=C3)C4=CC=CC=C4)OCC |
Product Overview
6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one (CAS 840462-56-8), with molecular formula C25H25NO3 and molecular weight 387.18 g/mol. IUPAC: 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3-one.
Chemical Property Profile of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one
Property Insights of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one
The XLogP value of 5.1627 indicates that 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one?
The CAS number of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one is 840462-56-8.
What is the molecular formula of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one?
The molecular formula of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one is C25H25NO3.
What is the molecular weight of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one?
The molecular weight of 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one is 387.18 g/mol.
Where can I buy 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one?
You can request a quote for 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-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-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,7-diethoxy-1,2-diphenyl-1,4-dihydroisoquinolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.