(2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide
TL;DR: (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide (CAS 5905-97-5) is a chemical compound with molecular formula C20H17N3O and molecular weight 315.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-benzyl-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
Also Known As: BIM-0036312.P001, (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide, (Z)-N-benzyl-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
| Molecular Formula | C20H17N3O |
|---|---|
| Molecular Weight | 315.14 g/mol |
| LogP | 3.6997 |
| Topological Polar Surface Area | 68.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.13718 |
| Heavy Atoms | 24 |
| Complexity | 945.92444 |
Chemical Identifiers
| CAS Number | 5905-97-5 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)/C=C(/C#N)\C(=O)NCC3=CC=CC=C3 |
Product Overview
(2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide (CAS 5905-97-5), with molecular formula C20H17N3O and molecular weight 315.14 g/mol. IUPAC: (Z)-N-benzyl-2-cyano-3-(2-methyl-1H-indol-3-yl)prop-2-enamide.
Chemical Property Profile of (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide
Property Insights of (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide
The XLogP value of 3.6997 indicates that (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-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 (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-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 (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide?
The CAS number of (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide is 5905-97-5.
What is the molecular formula of (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide?
The molecular formula of (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide is C20H17N3O.
What is the molecular weight of (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide?
The molecular weight of (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide is 315.14 g/mol.
Where can I buy (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide?
You can request a quote for (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-cyano-3-(2-methylindol-3-yl)-N-benzylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.