Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate
TL;DR: Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate (CAS 51649-80-0) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(1H-indol-3-yl)-3-phenylpropanoate
Also Known As: 3-Acetamido-ethylbenzol, methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate, 1H-indole-3-propanoic acid, alpha-cyano-beta-phenyl-, methyl ester, 2-cyano-3-(1h-indol-3-yl)-3-phenylpropionic acid methyl ester, RefChem:354217
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 51649-80-0 |
|---|---|
| SMILES | COC(=O)C(C#N)C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32 |
| InChIKey | XQRHCFHPUXBZCV-UHFFFAOYSA-N |
Product Overview
Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate (CAS 51649-80-0), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: methyl 2-cyano-3-(1H-indol-3-yl)-3-phenylpropanoate.
Chemical Property Profile of Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate
Property Insights of Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate
The XLogP value of 3.6 indicates that Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate has 1 hydrogen bond donor(s) and 3 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 Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate?
The CAS number of Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate is 51649-80-0.
What is the molecular formula of Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate?
The molecular formula of Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate is C19H16N2O2.
What is the molecular weight of Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate?
The molecular weight of Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate is 304.12 g/mol.
Where can I buy Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate?
You can request a quote for Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-(1h-indol-3-yl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.