3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
TL;DR: 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide (CAS 485367-39-3) is a chemical compound with molecular formula C20H16BrN3O and molecular weight 393.05 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-(2-phenylethyl)prop-2-enamide
Also Known As: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-phenethylprop-2-enamide, (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide, 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
| Molecular Formula | C20H16BrN3O |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 4.19628 |
| Topological Polar Surface Area | 68.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.04767 |
| Heavy Atoms | 25 |
| Complexity | 967.52 |
Chemical Identifiers
| CAS Number | 485367-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CNC3=C2C=C(C=C3)Br)/C#N |
Product Overview
3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide (CAS 485367-39-3), with molecular formula C20H16BrN3O and molecular weight 393.05 g/mol. IUPAC: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide.
Chemical Property Profile of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
Property Insights of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide
The XLogP value of 4.19628 indicates that 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide has 2 hydrogen bond donor(s) and 2 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 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The CAS number of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide is 485367-39-3.
What is the molecular formula of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The molecular formula of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide is C20H16BrN3O.
What is the molecular weight of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
The molecular weight of 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide is 393.05 g/mol.
Where can I buy 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide?
You can request a quote for 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)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-(2-phenylethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(2-phenylethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.