(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone
TL;DR: (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone (CAS 900296-96-0) is a chemical compound with molecular formula C20H18F3NO4 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
Also Known As: (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone, (6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)[4-(trifluoromethoxy)phenyl]methanone, (6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
| Molecular Formula | C20H18F3NO4 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 4.2716 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.1188 |
| Heavy Atoms | 28 |
| Complexity | 906.9022 |
Chemical Identifiers
| CAS Number | 900296-96-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C3=CC=C(C=C3)OC(F)(F)F)OC |
Product Overview
(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone (CAS 900296-96-0), with molecular formula C20H18F3NO4 and molecular weight 393.12 g/mol. IUPAC: (6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)-[4-(trifluoromethoxy)phenyl]methanone.
Chemical Property Profile of (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone
Property Insights of (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone
The XLogP value of 4.2716 indicates that (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone 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 (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone?
The CAS number of (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone is 900296-96-0.
What is the molecular formula of (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone?
The molecular formula of (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone is C20H18F3NO4.
What is the molecular weight of (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone?
The molecular weight of (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone is 393.12 g/mol.
Where can I buy (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone?
You can request a quote for (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone 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-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2(1H)-yl)(4-(trifluoromethoxy)phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.