![8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline structure](/static/products/883/883959-75-9.png)
8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
TL;DR: 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline (CAS 883959-75-9) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzenesulfonyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
Also Known As: 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline, 8-(benzenesulfonyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 2.5949 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 848.8225 |
Chemical Identifiers
| CAS Number | 883959-75-9 |
|---|---|
| SMILES | C1COC2=C(C=C3CN(CCC3=C2)S(=O)(=O)C4=CC=CC=C4)OC1 |
Product Overview
8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline (CAS 883959-75-9), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: 8-(benzenesulfonyl)-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline.
Chemical Property Profile of 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
Property Insights of 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline
The XLogP value of 2.5949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline. With a topological polar surface area (TPSA) of 55.84 Ų, 8-(phenylsulfonyl)-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-(phenylsulfonyl)-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-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The CAS number of 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is 883959-75-9.
What is the molecular formula of 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The molecular formula of 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is C18H19NO4S.
What is the molecular weight of 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
The molecular weight of 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline is 345.10 g/mol.
Where can I buy 8-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
You can request a quote for 8-(phenylsulfonyl)-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-(phenylsulfonyl)-3,4,7,8,9,10-hexahydro-2H-[1,4]dioxepino[2,3-g]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-(phenylsulfonyl)-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.