Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate
TL;DR: Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate (CAS 162646-52-8) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-1,3-dihydroindene-2-carboxylate
Also Known As: ethyl 2-cyano-1,3-dihydroindene-2-carboxylate, NCIOpen2_003714, ethyl 2-cyanoindane-2-carboxylate, 2-cyanoindan-2-carboxylic acid ethyl ester, ethyl2-cyano-1,3-dihydroindene-2-carboxylate
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 162646-52-8 |
|---|---|
| SMILES | CCOC(=O)C1(CC2=CC=CC=C2C1)C#N |
| InChIKey | ACZZMTFXNCKOIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate (CAS 162646-52-8), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: ethyl 2-cyano-1,3-dihydroindene-2-carboxylate.
Chemical Property Profile of Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate
Property Insights of Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate has 0 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 2-cyano-1,3-dihydroindene-2-carboxylate?
The CAS number of Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate is 162646-52-8.
What is the molecular formula of Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate?
The molecular formula of Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate is C13H13NO2.
What is the molecular weight of Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate?
The molecular weight of Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate is 215.09 g/mol.
Where can I buy Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate?
You can request a quote for Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-1,3-dihydroindene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.