ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate
TL;DR: ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate (CAS 105199-50-6) 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 (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate, ethyl 5-cyano-2,4-diphenyl-6-thioxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
| 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 | 105199-50-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)[C@@H]([C@H]1C2=CC=CC=C2)C#N)C3=CC=CC=C3 |
Product Overview
ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate (CAS 105199-50-6), with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol. IUPAC: ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate
Property Insights of ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate
The XLogP value of 3.81498 indicates that ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate 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 (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate. Following Lipinski's Rule of Five, ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate 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 (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate?
The CAS number of ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate is 105199-50-6.
What is the molecular formula of ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate?
The molecular formula of ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate is C21H18N2O2S.
What is the molecular weight of ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate?
The molecular weight of ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate is 362.11 g/mol.
Where can I buy ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate?
You can request a quote for ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3S,4S)-3-cyano-4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.