3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide
TL;DR: 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide (CAS 454668-35-0) is a chemical compound with molecular formula C21H13BrN4O and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-quinolin-5-ylprop-2-enamide
Also Known As: 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-quinolin-5-yl-prop-2-enamide, (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-quinolin-5-ylprop-2-enamide, 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide
| Molecular Formula | C21H13BrN4O |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 5.02428 |
| Topological Polar Surface Area | 81.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.02728 |
| Heavy Atoms | 27 |
| Complexity | 1244.75 |
Chemical Identifiers
| CAS Number | 454668-35-0 |
|---|---|
| SMILES | C1=CC2=C(C=CC=N2)C(=C1)NC(=O)/C(=C/C3=CNC4=C3C=C(C=C4)Br)/C#N |
Product Overview
3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide (CAS 454668-35-0), with molecular formula C21H13BrN4O and molecular weight 416.03 g/mol. IUPAC: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-quinolin-5-ylprop-2-enamide.
Chemical Property Profile of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide
Property Insights of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide
The XLogP value of 5.02428 indicates that 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide has 2 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 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide?
The CAS number of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide is 454668-35-0.
What is the molecular formula of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide?
The molecular formula of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide is C21H13BrN4O.
What is the molecular weight of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide?
The molecular weight of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide is 416.03 g/mol.
Where can I buy 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide?
You can request a quote for 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(quinolin-5-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.