Ethyl 5-cyano-6-ethoxy-2-methylnicotinate
TL;DR: Ethyl 5-cyano-6-ethoxy-2-methylnicotinate (CAS 64119-44-4) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate
Also Known As: ethyl 5-cyano-6-ethoxy-2-methylnicotinate, 3-Cyano-6-isopropylchromone, ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate, ethyl5-cyano-6-ethoxy-2-methylnicotinate, Y-1774
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 1.8371 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 463.55392 |
Chemical Identifiers
| CAS Number | 64119-44-4 |
|---|---|
| SMILES | CCOC1=NC(=C(C=C1C#N)C(=O)OCC)C |
Product Overview
Ethyl 5-cyano-6-ethoxy-2-methylnicotinate (CAS 64119-44-4), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-ethoxy-2-methylnicotinate
Property Insights of Ethyl 5-cyano-6-ethoxy-2-methylnicotinate
The XLogP value of 1.8371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-6-ethoxy-2-methylnicotinate. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-ethoxy-2-methylnicotinate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-ethoxy-2-methylnicotinate has 0 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-6-ethoxy-2-methylnicotinate?
The CAS number of Ethyl 5-cyano-6-ethoxy-2-methylnicotinate is 64119-44-4.
What is the molecular formula of Ethyl 5-cyano-6-ethoxy-2-methylnicotinate?
The molecular formula of Ethyl 5-cyano-6-ethoxy-2-methylnicotinate is C12H14N2O3.
What is the molecular weight of Ethyl 5-cyano-6-ethoxy-2-methylnicotinate?
The molecular weight of Ethyl 5-cyano-6-ethoxy-2-methylnicotinate is 234.10 g/mol.
Where can I buy Ethyl 5-cyano-6-ethoxy-2-methylnicotinate?
You can request a quote for Ethyl 5-cyano-6-ethoxy-2-methylnicotinate 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-ethoxy-2-methylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-ethoxy-2-methylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.