![2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile structure](/static/products/3384/338422-86-9.webp)
2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile
TL;DR: 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile (CAS 338422-86-9) is a chemical compound with molecular formula C12H13ClF3N3S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropan-2-yl]sulfanylacetonitrile
Also Known As: 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile, 2-[(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-methylpropan-2-yl)sulfanyl]acetonitrile, 2-[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-methylpropan-2-yl]sulfanylacetonitrile, 2-(2-{3-Chloro-5-(trifluoromethyl)-2-pyridinylamino}-1,1-dimethylethyl)sulfanylacetonitrile, 2-[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-methyl-propan-2-yl]sulfanylacetonitrile
| Molecular Formula | C12H13ClF3N3S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 4.20108 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0471 |
| Heavy Atoms | 20 |
| Complexity | 511.6495 |
Chemical Identifiers
| CAS Number | 338422-86-9 |
|---|---|
| SMILES | CC(C)(CNC1=C(C=C(C=N1)C(F)(F)F)Cl)SCC#N |
Product Overview
2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile (CAS 338422-86-9), with molecular formula C12H13ClF3N3S and molecular weight 323.05 g/mol. IUPAC: 2-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropan-2-yl]sulfanylacetonitrile.
Chemical Property Profile of 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile
Property Insights of 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile
The XLogP value of 4.20108 indicates that 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile 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 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile?
The CAS number of 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile is 338422-86-9.
What is the molecular formula of 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile?
The molecular formula of 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile is C12H13ClF3N3S.
What is the molecular weight of 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile?
The molecular weight of 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile is 323.05 g/mol.
Where can I buy 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile?
You can request a quote for 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.