![2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile structure](/static/products/4960/496018-72-5.webp)
2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
TL;DR: 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile (CAS 496018-72-5) is a chemical compound with molecular formula C17H10F3N3S2 and molecular weight 377.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: BAS 06900093, AM-807/12740444, 2-[(3-pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile, 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-(Pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-trifluoromethyl-nicotinonitrile
| Molecular Formula | C17H10F3N3S2 |
|---|---|
| Molecular Weight | 377.03 g/mol |
| LogP | 5.38788 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.02682 |
| Heavy Atoms | 25 |
| Complexity | 901.37775 |
Chemical Identifiers
| CAS Number | 496018-72-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N |
Product Overview
2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile (CAS 496018-72-5), with molecular formula C17H10F3N3S2 and molecular weight 377.03 g/mol. IUPAC: 2-(pyridin-3-ylmethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
Property Insights of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
The XLogP value of 5.38788 indicates that 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile?
The CAS number of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile is 496018-72-5.
What is the molecular formula of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile?
The molecular formula of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile is C17H10F3N3S2.
What is the molecular weight of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile?
The molecular weight of 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile is 377.03 g/mol.
Where can I buy 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile?
You can request a quote for 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-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 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.