methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369607-72-7) is a chemical compound with molecular formula C18H17IN2O5S and molecular weight 499.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C18H17IN2O5S |
|---|---|
| Molecular Weight | 499.99 g/mol |
| LogP | 2.32528 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.9903 |
| Heavy Atoms | 27 |
| Complexity | 833.2861 |
Chemical Identifiers
| CAS Number | 369607-72-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OC)C2=CC=CC=C2I)C#N |
Product Overview
methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369607-72-7), with molecular formula C18H17IN2O5S and molecular weight 499.99 g/mol. IUPAC: methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-iodophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 2.32528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 369607-72-7.
What is the molecular formula of methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is C18H17IN2O5S.
What is the molecular weight of methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 499.99 g/mol.
Where can I buy methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-iodophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.