2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide
TL;DR: 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide (CAS 455314-52-0) is a chemical compound with molecular formula C21H27N3O and molecular weight 337.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide
Also Known As: 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octyl-prop-2-enamide, 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide, (E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide
| Molecular Formula | C21H27N3O |
|---|---|
| Molecular Weight | 337.22 g/mol |
| LogP | 4.86 |
| Topological Polar Surface Area | 68.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 337.21542 |
| Heavy Atoms | 25 |
| Complexity | 780.0253 |
Chemical Identifiers
| CAS Number | 455314-52-0 |
|---|---|
| SMILES | CCCCCCCCNC(=O)/C(=C/C1=C(NC2=CC=CC=C21)C)/C#N |
Product Overview
2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide (CAS 455314-52-0), with molecular formula C21H27N3O and molecular weight 337.22 g/mol. IUPAC: (E)-2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide.
Chemical Property Profile of 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide
Property Insights of 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide
The XLogP value of 4.86 indicates that 2-cyano-3-(2-methyl-1H-indol-3-yl)-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 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide. Following Lipinski's Rule of Five, 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-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 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide?
The CAS number of 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide is 455314-52-0.
What is the molecular formula of 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide?
The molecular formula of 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide is C21H27N3O.
What is the molecular weight of 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide?
The molecular weight of 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide is 337.22 g/mol.
Where can I buy 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide?
You can request a quote for 2-cyano-3-(2-methyl-1H-indol-3-yl)-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 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-3-(2-methyl-1H-indol-3-yl)-N-octylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.