(E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
TL;DR: (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile (CAS 896856-59-0) is a chemical compound with molecular formula C22H16N2O4 and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
Also Known As: (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile, (E)-2-(indoline-1-carbonyl)-3-(6-methoxy-4-oxo-4H-chromen-3-yl)acrylonitrile, (2E)-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-3-(6-methoxy-4-oxo-4H-chromen-3-yl)prop-2-enenitrile
| Molecular Formula | C22H16N2O4 |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.29788 |
| Topological Polar Surface Area | 83.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.111 |
| Heavy Atoms | 28 |
| Complexity | 1217.1692 |
Chemical Identifiers
| CAS Number | 896856-59-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC=C(C2=O)/C=C(\C#N)/C(=O)N3CCC4=CC=CC=C43 |
Product Overview
(E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile (CAS 896856-59-0), with molecular formula C22H16N2O4 and molecular weight 372.11 g/mol. IUPAC: (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
Property Insights of (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile
The XLogP value of 3.29788 indicates that (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 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 (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile?
The CAS number of (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile is 896856-59-0.
What is the molecular formula of (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile?
The molecular formula of (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile is C22H16N2O4.
What is the molecular weight of (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile?
The molecular weight of (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile is 372.11 g/mol.
Where can I buy (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile?
You can request a quote for (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-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 (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2,3-dihydroindole-1-carbonyl)-3-(6-methoxy-4-oxochromen-3-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.