6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile
TL;DR: 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile (CAS 5809-04-1) is a chemical compound with molecular formula C16H9F3N2S and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2-prop-2-ynylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile, BAS 01127293, ETHYL 2-METHYLCYCLOPROP-2-ENE-1-CARBOXYLATE, 6-phenyl-2-prop-2-ynylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-phenyl-2-prop-2-ynylthio-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C16H9F3N2S |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 4.36438 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04385 |
| Heavy Atoms | 22 |
| Complexity | 755.9311 |
Chemical Identifiers
| CAS Number | 5809-04-1 |
|---|---|
| SMILES | C#CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C(F)(F)F)C#N |
Product Overview
6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile (CAS 5809-04-1), with molecular formula C16H9F3N2S and molecular weight 318.04 g/mol. IUPAC: 6-phenyl-2-prop-2-ynylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile
Property Insights of 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile
The XLogP value of 4.36438 indicates that 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile has 0 hydrogen bond donor(s) and 3 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 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile?
The CAS number of 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile is 5809-04-1.
What is the molecular formula of 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile?
The molecular formula of 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile is C16H9F3N2S.
What is the molecular weight of 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile?
The molecular weight of 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile is 318.04 g/mol.
Where can I buy 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile?
You can request a quote for 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenyl-2-prop-2-ynylsulfanyl-4-trifluoromethyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.