Ethyl 6-cyano-1H-indole-2-carboxylate
TL;DR: Ethyl 6-cyano-1H-indole-2-carboxylate (CAS 104291-81-8) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-cyano-1H-indole-2-carboxylate
Also Known As: Ethyl 6-cyano-1H-indole-2-carboxylate, 1H-Indole-2-carboxylic acid, 6-cyano-, ethyl ester, Ethyl-6-cyano-1H-indole-2-carboxylate, ethyl 6-cyanoindole-2-carboxylate, Ethyl6-cyano-1H-indole-2-carboxylate
Technical Specifications
| Molecular Formula | C12H10N2O2 |
| Molecular Weight | 214.07423 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07423 Da |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C=C(C=C2)C#N |
| InChIKey | IUCDNWPSPSMAPS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 6-cyano-1H-indole-2-carboxylate
Property Insights of Ethyl 6-cyano-1H-indole-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-cyano-1H-indole-2-carboxylate. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-cyano-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-cyano-1H-indole-2-carboxylate 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
What is the CAS number of Ethyl 6-cyano-1H-indole-2-carboxylate?
The CAS number of Ethyl 6-cyano-1H-indole-2-carboxylate is 104291-81-8.
What is the molecular formula of Ethyl 6-cyano-1H-indole-2-carboxylate?
The molecular formula of Ethyl 6-cyano-1H-indole-2-carboxylate is C12H10N2O2.
What is the molecular weight of Ethyl 6-cyano-1H-indole-2-carboxylate?
The molecular weight of Ethyl 6-cyano-1H-indole-2-carboxylate is 214.07423 g/mol.
Where can I buy Ethyl 6-cyano-1H-indole-2-carboxylate?
You can request a quote for Ethyl 6-cyano-1H-indole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 6-cyano-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 6-cyano-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.