Ethyl beta-cyano-1H-indole-3-propanoate
TL;DR: Ethyl beta-cyano-1H-indole-3-propanoate (CAS 10184-97-1) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-3-(1H-indol-3-yl)propanoate
Also Known As: Ethyl 3-cyano-3-(1H-indol-3-yl)propanoate, Ethyl beta-cyano-1H-indole-3-propanoate, ethyl 3-cyano-3-indol-3-ylpropanoate, BAS 03025119, Ethyl I(2)-cyano-1H-indole-3-propanoate
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 10184-97-1 |
|---|---|
| SMILES | CCOC(=O)CC(C#N)C1=CNC2=CC=CC=C21 |
| InChIKey | GOTNBVYYMNYPJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl beta-cyano-1H-indole-3-propanoate (CAS 10184-97-1), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: ethyl 3-cyano-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Ethyl beta-cyano-1H-indole-3-propanoate
Property Insights of Ethyl beta-cyano-1H-indole-3-propanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl beta-cyano-1H-indole-3-propanoate. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl beta-cyano-1H-indole-3-propanoate. Following Lipinski's Rule of Five, Ethyl beta-cyano-1H-indole-3-propanoate 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 Ethyl beta-cyano-1H-indole-3-propanoate?
The CAS number of Ethyl beta-cyano-1H-indole-3-propanoate is 10184-97-1.
What is the molecular formula of Ethyl beta-cyano-1H-indole-3-propanoate?
The molecular formula of Ethyl beta-cyano-1H-indole-3-propanoate is C14H14N2O2.
What is the molecular weight of Ethyl beta-cyano-1H-indole-3-propanoate?
The molecular weight of Ethyl beta-cyano-1H-indole-3-propanoate is 242.11 g/mol.
Where can I buy Ethyl beta-cyano-1H-indole-3-propanoate?
You can request a quote for Ethyl beta-cyano-1H-indole-3-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl beta-cyano-1H-indole-3-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl beta-cyano-1H-indole-3-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.