Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate
TL;DR: Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate (CAS 402479-97-4) is a chemical compound with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate
Also Known As: ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate, Ethyl 5-cyano-6-methyl-2-piperazinonicotinate, ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)pyridine-3-carboxylate, ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate, Ethyl5-cyano-6-methyl-2-piperazinonicotinate
| Molecular Formula | C14H18N4O2 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 0.848 |
| Topological Polar Surface Area | 78.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.14297 |
| Heavy Atoms | 20 |
| Complexity | 544.8403 |
Chemical Identifiers
| CAS Number | 402479-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCNCC2 |
Product Overview
Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate (CAS 402479-97-4), with molecular formula C14H18N4O2 and molecular weight 274.14 g/mol. IUPAC: ethyl 5-cyano-6-methyl-2-piperazin-1-ylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate
Property Insights of Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate
The XLogP value of 0.848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate. The TPSA of 78.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate has 1 hydrogen bond donor(s) and 6 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-6-methyl-2-(piperazin-1-yl)nicotinate?
The CAS number of Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate is 402479-97-4.
What is the molecular formula of Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate?
The molecular formula of Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate is C14H18N4O2.
What is the molecular weight of Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate?
The molecular weight of Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate is 274.14 g/mol.
Where can I buy Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate?
You can request a quote for Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate 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-6-methyl-2-(piperazin-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.