![(1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone structure](/static/products/879/879768-41-9.png)
(1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
TL;DR: (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone (CAS 879768-41-9) is a chemical compound with molecular formula C25H26FNO3 and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-fluorophenyl)cyclopentyl]-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone
Also Known As: (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone, [1-(3-fluorophenyl)cyclopentyl](7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone, [1-(3-fluorophenyl)cyclopentyl]-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone
| Molecular Formula | C25H26FNO3 |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | 4.8544 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.18967 |
| Heavy Atoms | 30 |
| Complexity | 1009.4485 |
Chemical Identifiers
| CAS Number | 879768-41-9 |
|---|---|
| SMILES | C=C1C2=CC3=C(C=C2CCN1C(=O)C4(CCCC4)C5=CC(=CC=C5)F)OCCCO3 |
Product Overview
(1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone (CAS 879768-41-9), with molecular formula C25H26FNO3 and molecular weight 407.19 g/mol. IUPAC: [1-(3-fluorophenyl)cyclopentyl]-(7-methylidene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8-yl)methanone.
Chemical Property Profile of (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
Property Insights of (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
The XLogP value of 4.8544 indicates that (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)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, (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)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 (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone?
The CAS number of (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone is 879768-41-9.
What is the molecular formula of (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone?
The molecular formula of (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone is C25H26FNO3.
What is the molecular weight of (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone?
The molecular weight of (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone is 407.19 g/mol.
Where can I buy (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone?
You can request a quote for (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-(3-fluorophenyl)cyclopentyl)(7-methylene-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.