2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile
TL;DR: 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile (CAS 861207-67-2) is a chemical compound with molecular formula C19H13ClN2O2 and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile
Also Known As: 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile, 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile, (Z)-2-(4-ChlorobenZoyl)-3-(5-methoxy-1H-indol-3-yl)-2-propenenitrile
| Molecular Formula | C19H13ClN2O2 |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 4.61978 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.06656 |
| Heavy Atoms | 24 |
| Complexity | 978.7646 |
Chemical Identifiers
| CAS Number | 861207-67-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2C=C(C#N)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile (CAS 861207-67-2), with molecular formula C19H13ClN2O2 and molecular weight 336.07 g/mol. IUPAC: 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile.
Chemical Property Profile of 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile
Property Insights of 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile
The XLogP value of 4.61978 indicates that 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile. Following Lipinski's Rule of Five, 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile has 1 hydrogen bond donor(s) and 3 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 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile?
The CAS number of 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile is 861207-67-2.
What is the molecular formula of 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile?
The molecular formula of 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile is C19H13ClN2O2.
What is the molecular weight of 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile?
The molecular weight of 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile is 336.07 g/mol.
Where can I buy 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile?
You can request a quote for 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorobenzoyl)-3-(5-methoxy-1H-indol-3-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.