![(2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile structure](/static/products/347/347325-67-1.png)
(2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile
TL;DR: (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile (CAS 347325-67-1) is a chemical compound with molecular formula C31H29N3O2 and molecular weight 475.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enenitrile
Also Known As: (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile, (2E)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl}-2-(2-1,2,3,4-tetrahydroiso quinolylcarbonyl)prop-2-enenitrile, (E)-1-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLCARBONYL]-2-{1-[2-(2,5-DIMETHYLPHENOXY)ETHYL]-1H-INDOL-3-YL}-1-ETHENYL CYANIDE, (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enenitrile, (E)-3-(1-(2-(2,5-dimethylphenoxy)ethyl)-1H-indol-3-yl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)acrylonitrile
| Molecular Formula | C31H29N3O2 |
|---|---|
| Molecular Weight | 475.23 g/mol |
| LogP | 5.82902 |
| Topological Polar Surface Area | 58.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.22598 |
| Heavy Atoms | 36 |
| Complexity | 1506.0317 |
Chemical Identifiers
| CAS Number | 347325-67-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
(2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile (CAS 347325-67-1), with molecular formula C31H29N3O2 and molecular weight 475.23 g/mol. IUPAC: (E)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile
Property Insights of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile
The XLogP value of 5.82902 indicates that (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.26 Ų, (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile?
The CAS number of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile is 347325-67-1.
What is the molecular formula of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile?
The molecular formula of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile is C31H29N3O2.
What is the molecular weight of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile?
The molecular weight of (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile is 475.23 g/mol.
Where can I buy (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile?
You can request a quote for (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.