ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
TL;DR: ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (CAS 84990-20-5) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
Also Known As: ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate, ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-car, ethyl 5-cyano-1,3-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate, 1H-INDOLE-2-CARBOXYLICACID, 5-CYANO-4,5,6,7-TETRAHYDRO-1,3-DIMETHYL-4-OXO-, ETHYL ESTER
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 84990-20-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1C)CCC(C2=O)C#N)C |
| InChIKey | RQCQGQBBOKCJIK-UHFFFAOYSA-N |
Product Overview
ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate (CAS 84990-20-5), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
Property Insights of ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The CAS number of ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is 84990-20-5.
What is the molecular formula of ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The molecular formula of ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is C14H16N2O3.
What is the molecular weight of ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
The molecular weight of ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate is 260.12 g/mol.
Where can I buy ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
You can request a quote for ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-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 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-1,3-dimethyl-4-oxo-6,7-dihydro-5H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.