Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate
TL;DR: Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate (CAS 477865-83-1) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate
Also Known As: ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate, ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate, ethyl5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate
| Molecular Formula | C18H19N3O2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 3.61888 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.14774 |
| Heavy Atoms | 23 |
| Complexity | 721.0368 |
Chemical Identifiers
| CAS Number | 477865-83-1 |
|---|---|
| SMILES | CCCNC1=NC(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2 |
Product Overview
Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate (CAS 477865-83-1), with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol. IUPAC: ethyl 5-cyano-2-phenyl-6-(propylamino)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate
Property Insights of Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate
The XLogP value of 3.61888 indicates that Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate has 1 hydrogen bond donor(s) and 5 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-2-phenyl-6-(propylamino)nicotinate?
The CAS number of Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate is 477865-83-1.
What is the molecular formula of Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate?
The molecular formula of Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate is C18H19N3O2.
What is the molecular weight of Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate?
The molecular weight of Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate is 309.15 g/mol.
Where can I buy Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate?
You can request a quote for Ethyl 5-cyano-2-phenyl-6-(propylamino)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-2-phenyl-6-(propylamino)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.