Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate
TL;DR: Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate (CAS 477866-18-5) is a chemical compound with molecular formula C20H22N4O2 and molecular weight 350.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-cyano-6-(4-methylpiperazin-1-yl)-2-phenylpyridine-3-carboxylate
Also Known As: ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate, 1L-338S, ethyl 5-cyano-6-(4-methylpiperazin-1-yl)-2-phenylpyridine-3-carboxylate, Ethyl 5-cyano-6-(4-methylpiperazin-1-yl)-2-phenyl-pyridine-3-carboxylate, ethyl5-cyano-6-(4-methylpiperazin-1-yl)-2-phenylpyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C20H22N4O2 |
| Molecular Weight | 350.1743 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 69.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1743 Da |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C)C3=CC=CC=C3 |
| InChIKey | NGXDEHLJEPUDCL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate
Property Insights of Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate has 0 hydrogen bond donor(s) and 6 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 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate?
The CAS number of Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate is 477866-18-5.
What is the molecular formula of Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate?
The molecular formula of Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate is C20H22N4O2.
What is the molecular weight of Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate?
The molecular weight of Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate is 350.1743 g/mol.
Where can I buy Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate?
You can request a quote for Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-cyano-6-(4-methylpiperazino)-2-phenylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.