3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester
TL;DR: 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester (CAS 330439-38-8) is a chemical compound with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-indole-2-carboxylate
Also Known As: ethyl 3-cinnamamido-1H-indole-2-carboxylate, BAS 00416303, AB00668918-01, F0588-0054, 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester
| Molecular Formula | C20H18N2O3 |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 3.9965 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.13174 |
| Heavy Atoms | 25 |
| Complexity | 926.5241 |
Chemical Identifiers
| CAS Number | 330439-38-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)/C=C/C3=CC=CC=C3 |
Product Overview
3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester (CAS 330439-38-8), with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol. IUPAC: ethyl 3-[[(E)-3-phenylprop-2-enoyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester
Property Insights of 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester
The XLogP value of 3.9965 indicates that 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester has 2 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 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester?
The CAS number of 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester is 330439-38-8.
What is the molecular formula of 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester?
The molecular formula of 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester is C20H18N2O3.
What is the molecular weight of 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester?
The molecular weight of 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester is 334.13 g/mol.
Where can I buy 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester?
You can request a quote for 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Phenyl-acryloylamino)-1H-indole-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.