ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
TL;DR: ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 351901-33-2) is a chemical compound with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-2-methyl-5-prop-2-enyl-6-sulfanylidene-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, ethyl 5-cyano-2-methyl-5-(prop-2-en-1-yl)-4-(thiophen-2-yl)-6-thioxo-1,4,5,6-tetrahydropyridine-3-carboxylate, ETHYL 5-CYANO-2-METHYL-5-(PROP-2-EN-1-YL)-6-SULFANYLIDENE-4-(THIOPHEN-2-YL)-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, ethyl 5-cyano-2-methyl-5-prop-2-enyl-6-sulfanylidene-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C17H18N2O2S2 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 3.68548 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.08096 |
| Heavy Atoms | 23 |
| Complexity | 700.6756 |
Chemical Identifiers
| CAS Number | 351901-33-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)C(C1C2=CC=CS2)(CC=C)C#N)C |
Product Overview
ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 351901-33-2), with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol. IUPAC: ethyl 5-cyano-2-methyl-5-prop-2-enyl-6-sulfanylidene-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Property Insights of ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
The XLogP value of 3.68548 indicates that ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate 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-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The CAS number of ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 351901-33-2.
What is the molecular formula of ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular formula of ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is C17H18N2O2S2.
What is the molecular weight of ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular weight of ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 346.08 g/mol.
Where can I buy ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
You can request a quote for ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-allyl-5-cyano-2-methyl-4-(2-thienyl)-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.