![N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide structure](/static/products/902/902327-68-8.png)
N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide
TL;DR: N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide (CAS 902327-68-8) is a chemical compound with molecular formula C22H28N2O6S2 and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)benzenesulfonamide
Also Known As: N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide, N,N-diethyl-4-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)benzenesulfonamide, N,N-diethyl-4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-ylsulfonyl)benzenesulfonamide
| Molecular Formula | C22H28N2O6S2 |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 2.6254 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.1389 |
| Heavy Atoms | 32 |
| Complexity | 1189.672 |
Chemical Identifiers
| CAS Number | 902327-68-8 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC4=C(C=C3C2)OCCCO4 |
Product Overview
N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide (CAS 902327-68-8), with molecular formula C22H28N2O6S2 and molecular weight 480.14 g/mol. IUPAC: N,N-diethyl-4-(2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinolin-8-ylsulfonyl)benzenesulfonamide.
Chemical Property Profile of N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide
Property Insights of N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide
The XLogP value of 2.6254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide. Following Lipinski's Rule of Five, N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide 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 N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide?
The CAS number of N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide is 902327-68-8.
What is the molecular formula of N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide?
The molecular formula of N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide is C22H28N2O6S2.
What is the molecular weight of N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide?
The molecular weight of N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide is 480.14 g/mol.
Where can I buy N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide?
You can request a quote for N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-4-((3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)sulfonyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.