![1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline structure](/static/products/3013/301331-90-8.webp)
1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline
TL;DR: 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline (CAS 301331-90-8) is a chemical compound with molecular formula C25H19N3O4S and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline
Also Known As: 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline, 1-(1H-indol-3-yl)-2-[2-(3-nitrophenyl)ethenesulfonyl]-1,2-dihydroisoquinoline, 1-(1H-indol-3-yl)-2-{[(E)-2-(3-nitrophenyl)ethene]sulfonyl}-1,2-dihydroisoquinoline, 1-(1H-indol-3-yl)-2-{[2-(3-nitrophenyl)vinyl]sulfonyl}-1,2-dihydroisoquinoline
| Molecular Formula | C25H19N3O4S |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 5.4525 |
| Topological Polar Surface Area | 96.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.10962 |
| Heavy Atoms | 33 |
| Complexity | 1536.0604 |
Chemical Identifiers
| CAS Number | 301331-90-8 |
|---|---|
| SMILES | C1=CC=C2C(N(C=CC2=C1)S(=O)(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54 |
Product Overview
1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline (CAS 301331-90-8), with molecular formula C25H19N3O4S and molecular weight 457.11 g/mol. IUPAC: 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline.
Chemical Property Profile of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline
Property Insights of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline
The XLogP value of 5.4525 indicates that 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline. Following Lipinski's Rule of Five, 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline?
The CAS number of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline is 301331-90-8.
What is the molecular formula of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline?
The molecular formula of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline is C25H19N3O4S.
What is the molecular weight of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline?
The molecular weight of 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline is 457.11 g/mol.
Where can I buy 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline?
You can request a quote for 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.