![ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate structure](/static/products/4780/478042-69-2.webp)
ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate
TL;DR: ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate (CAS 478042-69-2) is a chemical compound with molecular formula C14H18ClF3N2O2S and molecular weight 370.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropan-2-yl]sulfanylacetate
Also Known As: ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate, ethyl 2-[(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-methylpropan-2-yl)sulfanyl]acetate, ethyl 2-[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-methylpropan-2-yl]sulfanylacetate, Ethyl 2-[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-methyl-propan-2-yl]sulfanylacetate, ethyl 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-1,1-dimethyl-ethyl]sulfanylacetate
| Molecular Formula | C14H18ClF3N2O2S |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 4.2406 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.07297 |
| Heavy Atoms | 23 |
| Complexity | 553.3142 |
Chemical Identifiers
| CAS Number | 478042-69-2 |
|---|---|
| SMILES | CCOC(=O)CSC(C)(C)CNC1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate (CAS 478042-69-2), with molecular formula C14H18ClF3N2O2S and molecular weight 370.07 g/mol. IUPAC: ethyl 2-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropan-2-yl]sulfanylacetate.
Chemical Property Profile of ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate
Property Insights of ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate
The XLogP value of 4.2406 indicates that ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 5 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 ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate?
The CAS number of ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate is 478042-69-2.
What is the molecular formula of ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate is C14H18ClF3N2O2S.
What is the molecular weight of ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate is 370.07 g/mol.
Where can I buy ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1,1-dimethylethyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.