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Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate
TL;DR: Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate (CAS 374606-79-8) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-6-methyl-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate, ethyl 3-cyano-6-methyl-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-5-carboxylate, ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-4,4'-bipyridine-3-carboxylate
| Molecular Formula | C15H15N3O3 |
|---|---|
| Molecular Weight | 285.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.11133 |
| Heavy Atoms | 21 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 374606-79-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)C(C1C2=CC=NC=C2)C#N)C |
| InChIKey | NNUJEFULTOTQBR-UHFFFAOYSA-N |
Product Overview
Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate (CAS 374606-79-8), with molecular formula C15H15N3O3 and molecular weight 285.11 g/mol. IUPAC: ethyl 3-cyano-6-methyl-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate
Property Insights of Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate 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-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate?
The CAS number of Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate is 374606-79-8.
What is the molecular formula of Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate?
The molecular formula of Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate is C15H15N3O3.
What is the molecular weight of Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate?
The molecular weight of Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate is 285.11 g/mol.
Where can I buy Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate?
You can request a quote for Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-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-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-2-methyl-6-oxo-1,4,5,6-tetrahydro-[4,4'-bipyridine]-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.