![(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone structure](/static/products/879/879566-55-9.png)
(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone
TL;DR: (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone (CAS 879566-55-9) is a chemical compound with molecular formula C21H18F3NO3 and molecular weight 389.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)-[2-(trifluoromethyl)phenyl]methanone
Also Known As: (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone, (7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)[2-(trifluoromethyl)phenyl]methanone, (7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)-[2-(trifluoromethyl)phenyl]methanone
| Molecular Formula | C21H18F3NO3 |
|---|---|
| Molecular Weight | 389.12 g/mol |
| LogP | 4.5359 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.12387 |
| Heavy Atoms | 28 |
| Complexity | 952.3974 |
Chemical Identifiers
| CAS Number | 879566-55-9 |
|---|---|
| SMILES | C=C1C2=CC3=C(C=C2CCN1C(=O)C4=CC=CC=C4C(F)(F)F)OCCCO3 |
Product Overview
(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone (CAS 879566-55-9), with molecular formula C21H18F3NO3 and molecular weight 389.12 g/mol. IUPAC: (7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)-[2-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone
Property Insights of (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone
The XLogP value of 4.5359 indicates that (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone has 0 hydrogen bond donor(s) and 3 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 (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone?
The CAS number of (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone is 879566-55-9.
What is the molecular formula of (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone?
The molecular formula of (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone is C21H18F3NO3.
What is the molecular weight of (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone?
The molecular weight of (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone is 389.12 g/mol.
Where can I buy (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone?
You can request a quote for (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)(2-(trifluoromethyl)phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.