(E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide
TL;DR: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide (CAS 454437-63-9) is a chemical compound with molecular formula C20H24BrN3O and molecular weight 401.11 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-octylprop-2-enamide
Also Known As: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide, 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide, 3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octyl-prop-2-enamide
| Molecular Formula | C20H24BrN3O |
|---|---|
| Molecular Weight | 401.11 g/mol |
| LogP | 5.31408 |
| Topological Polar Surface Area | 68.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.11026 |
| Heavy Atoms | 25 |
| Complexity | 785.82544 |
Chemical Identifiers
| CAS Number | 454437-63-9 |
|---|---|
| SMILES | CCCCCCCCNC(=O)/C(=C/C1=CNC2=C1C=C(C=C2)Br)/C#N |
Product Overview
(E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide (CAS 454437-63-9), with molecular formula C20H24BrN3O and molecular weight 401.11 g/mol. IUPAC: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide.
Chemical Property Profile of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide
Property Insights of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide
The XLogP value of 5.31408 indicates that (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-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 (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide. Following Lipinski's Rule of Five, (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide?
The CAS number of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide is 454437-63-9.
What is the molecular formula of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide?
The molecular formula of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide is C20H24BrN3O.
What is the molecular weight of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide?
The molecular weight of (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide is 401.11 g/mol.
Where can I buy (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide?
You can request a quote for (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-octylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.