(2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide
TL;DR: (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide (CAS 401640-71-9) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide
Also Known As: (2E)-2-cyano-3-indol-3-yl-N-methylprop-2-enamide, (E)-2-cyano-3-(1H-indol-3-yl)-N-methylacrylamide, (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide, (E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 1.82088 |
| Topological Polar Surface Area | 68.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 631.39716 |
Chemical Identifiers
| CAS Number | 401640-71-9 |
|---|---|
| SMILES | CNC(=O)/C(=C/C1=CNC2=CC=CC=C21)/C#N |
Product Overview
(2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide (CAS 401640-71-9), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: (E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide
Property Insights of (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide
The XLogP value of 1.82088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide. The TPSA of 68.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-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 (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide?
The CAS number of (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide is 401640-71-9.
What is the molecular formula of (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide?
The molecular formula of (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide is C13H11N3O.
What is the molecular weight of (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide?
The molecular weight of (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide is 225.09 g/mol.
Where can I buy (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide?
You can request a quote for (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-(1H-indol-3-yl)-N-methylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.