Indole-2-carboxylic acid, 1-benzyl-, ethyl ester
TL;DR: Indole-2-carboxylic acid, 1-benzyl-, ethyl ester (CAS 17017-66-2) is a chemical compound with molecular formula C18H17NO2 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzylindole-2-carboxylate
Also Known As: Ethyl 1-benzyl-1H-indole-2-carboxylate, ethyl 1-benzylindole-2-carboxylate, Ethyl-1-benzylindole carboxylate, Indole-2-carboxylic acid, 1-benzyl-, ethyl ester, 1-benzyl-2-(ethoxycarbonyl)indole
| Molecular Formula | C18H17NO2 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 31.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.12592 |
| Heavy Atoms | 21 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 17017-66-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2N1CC3=CC=CC=C3 |
| InChIKey | ZILCNJGUDMJWJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-2-carboxylic acid, 1-benzyl-, ethyl ester (CAS 17017-66-2), with molecular formula C18H17NO2 and molecular weight 279.13 g/mol. IUPAC: ethyl 1-benzylindole-2-carboxylate.
Chemical Property Profile of Indole-2-carboxylic acid, 1-benzyl-, ethyl ester
Property Insights of Indole-2-carboxylic acid, 1-benzyl-, ethyl ester
The XLogP value of 4.1 indicates that Indole-2-carboxylic acid, 1-benzyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.2 Ų, Indole-2-carboxylic acid, 1-benzyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-2-carboxylic acid, 1-benzyl-, ethyl ester has 0 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 Indole-2-carboxylic acid, 1-benzyl-, ethyl ester?
The CAS number of Indole-2-carboxylic acid, 1-benzyl-, ethyl ester is 17017-66-2.
What is the molecular formula of Indole-2-carboxylic acid, 1-benzyl-, ethyl ester?
The molecular formula of Indole-2-carboxylic acid, 1-benzyl-, ethyl ester is C18H17NO2.
What is the molecular weight of Indole-2-carboxylic acid, 1-benzyl-, ethyl ester?
The molecular weight of Indole-2-carboxylic acid, 1-benzyl-, ethyl ester is 279.13 g/mol.
Where can I buy Indole-2-carboxylic acid, 1-benzyl-, ethyl ester?
You can request a quote for Indole-2-carboxylic acid, 1-benzyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-2-carboxylic acid, 1-benzyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indole-2-carboxylic acid, 1-benzyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.