![8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline structure](/static/products/883/883960-52-9.png)
8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
TL;DR: 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline (CAS 883960-52-9) is a chemical compound with molecular formula C20H21NO6S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
Also Known As: 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline, 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline, 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
| Molecular Formula | C20H21NO6S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 2.3661 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.10895 |
| Heavy Atoms | 28 |
| Complexity | 1019.59625 |
Chemical Identifiers
| CAS Number | 883960-52-9 |
|---|---|
| SMILES | C1COC2=C(C=C3CN(CCC3=C2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)OC1 |
Product Overview
8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline (CAS 883960-52-9), with molecular formula C20H21NO6S and molecular weight 403.11 g/mol. IUPAC: 8-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline.
Chemical Property Profile of 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Property Insights of 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
The XLogP value of 2.3661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline. Following Lipinski's Rule of Five, 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline has 0 hydrogen bond donor(s) and 6 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 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The CAS number of 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is 883960-52-9.
What is the molecular formula of 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The molecular formula of 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is C20H21NO6S.
What is the molecular weight of 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The molecular weight of 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is 403.11 g/mol.
Where can I buy 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
You can request a quote for 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.