Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
TL;DR: Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 105205-64-9) is a chemical compound with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydropyridine-3-carboxylate, 2-(1H-Indol-7-yl)propan-2-ol, 1190AA, 8157AC
| Molecular Formula | C21H18N2O2S |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 3.81498 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1089 |
| Heavy Atoms | 26 |
| Complexity | 885.23206 |
Chemical Identifiers
| CAS Number | 105205-64-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)C(C1C2=CC=CC=C2)C#N)C3=CC=CC=C3 |
Product Overview
Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 105205-64-9), with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol. IUPAC: ethyl 3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Property Insights of Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
The XLogP value of 3.81498 indicates that Ethyl 5-cyano-2,4-diphenyl-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-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate has 1 hydrogen bond donor(s) and 4 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-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The CAS number of Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 105205-64-9.
What is the molecular formula of Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular formula of Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is C21H18N2O2S.
What is the molecular weight of Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular weight of Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 362.11 g/mol.
Where can I buy Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
You can request a quote for Ethyl 5-cyano-2,4-diphenyl-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-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.