4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile
TL;DR: 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile (CAS 89451-29-6) is a chemical compound with molecular formula C18H14N2S and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
Also Known As: 1,2,3,4-Tetrahydro-4,6-diphenyl-2-thioxo-3-pyridinecarbonitrile, 3-cyano-4,6-diphenyl-3,4-dihydropyridine-2-thione, 3-Pyridinecarbonitrile, 1,2,3,4-tetrahydro-4,6-diphenyl-2-thioxo-, 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile, 4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
| Molecular Formula | C18H14N2S |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 3.88168 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.08777 |
| Heavy Atoms | 21 |
| Complexity | 713.8885 |
Chemical Identifiers
| CAS Number | 89451-29-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C=C(NC(=S)C2C#N)C3=CC=CC=C3 |
Product Overview
4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile (CAS 89451-29-6), with molecular formula C18H14N2S and molecular weight 290.09 g/mol. IUPAC: 4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile
Property Insights of 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile
The XLogP value of 3.88168 indicates that 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile?
The CAS number of 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile is 89451-29-6.
What is the molecular formula of 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile?
The molecular formula of 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile is C18H14N2S.
What is the molecular weight of 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile?
The molecular weight of 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile is 290.09 g/mol.
Where can I buy 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile?
You can request a quote for 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diphenyl-2-sulfanyl-3,4-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.