![1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone structure](/static/products/902/902305-93-5.png)
1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone
TL;DR: 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone (CAS 902305-93-5) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)phenyl]ethanone
Also Known As: 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone, 1-[4-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)phenyl]ethanone, 1-[4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)phenyl]ethanone
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 2.7975 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 982.1768 |
Chemical Identifiers
| CAS Number | 902305-93-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4 |
Product Overview
1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone (CAS 902305-93-5), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: 1-[4-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)phenyl]ethanone.
Chemical Property Profile of 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone
Property Insights of 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone
The XLogP value of 2.7975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone has 0 hydrogen bond donor(s) and 5 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-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone?
The CAS number of 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone is 902305-93-5.
What is the molecular formula of 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone?
The molecular formula of 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone is C20H21NO5S.
What is the molecular weight of 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone?
The molecular weight of 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone is 387.11 g/mol.
Where can I buy 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone?
You can request a quote for 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.