![8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline structure](/static/products/883/883960-34-7.png)
8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
TL;DR: 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline (CAS 883960-34-7) is a chemical compound with molecular formula C22H27NO4S and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
Also Known As: 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline, 8-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline, 8-[(2,3,5,6-tetramethylphenyl)sulfonyl]-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
| Molecular Formula | C22H27NO4S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 3.82858 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.16608 |
| Heavy Atoms | 28 |
| Complexity | 1016.9828 |
Chemical Identifiers
| CAS Number | 883960-34-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4)C)C |
Product Overview
8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline (CAS 883960-34-7), with molecular formula C22H27NO4S and molecular weight 401.17 g/mol. IUPAC: 8-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline.
Chemical Property Profile of 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Property Insights of 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
The XLogP value of 3.82858 indicates that 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline 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 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The CAS number of 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is 883960-34-7.
What is the molecular formula of 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The molecular formula of 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is C22H27NO4S.
What is the molecular weight of 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The molecular weight of 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is 401.17 g/mol.
Where can I buy 8-((2,3,5,6-tetramethylphenyl)sulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
You can request a quote for 8-((2,3,5,6-tetramethylphenyl)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-((2,3,5,6-tetramethylphenyl)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-((2,3,5,6-tetramethylphenyl)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.