4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
TL;DR: 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile (CAS 314764-04-0) is a chemical compound with molecular formula C21H14N2S and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
Also Known As: 4,6-diphenyl-2-(prop-2-ynylthio)nicotinonitrile, 2-propargylsulfanyl-4,6-diphenylnicotinonitrile, 4,6-diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile, 4,6-diphenyl-2-(2-propyn-1-ylsulfanyl)nicotinonitrile, 4,6-diphenyl-2-(2-propynylsulfanyl)nicotinonitrile
| Molecular Formula | C21H14N2S |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 5.01258 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.08777 |
| Heavy Atoms | 24 |
| Complexity | 919.79285 |
Chemical Identifiers
| CAS Number | 314764-04-0 |
|---|---|
| SMILES | C#CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N |
Product Overview
4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile (CAS 314764-04-0), with molecular formula C21H14N2S and molecular weight 326.09 g/mol. IUPAC: 4,6-diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
Property Insights of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
The XLogP value of 5.01258 indicates that 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile?
The CAS number of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile is 314764-04-0.
What is the molecular formula of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile?
The molecular formula of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile is C21H14N2S.
What is the molecular weight of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile?
The molecular weight of 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile is 326.09 g/mol.
Where can I buy 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile?
You can request a quote for 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-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-prop-2-ynylsulfanylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.