Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate
TL;DR: Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate (CAS 1024368-23-7) is a chemical compound with molecular formula C9H7ClF3NO2S and molecular weight 284.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate, Methyl 2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)acetate, 7637AC, Methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetate, Methyl {[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}acetate
| Molecular Formula | C9H7ClF3NO2S |
|---|---|
| Molecular Weight | 284.98 g/mol |
| LogP | 3.0189 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.98383 |
| Heavy Atoms | 17 |
| Complexity | 425.19226 |
Chemical Identifiers
| CAS Number | 1024368-23-7 |
|---|---|
| SMILES | COC(=O)CSC1=C(C=C(C=N1)C(F)(F)F)Cl |
Product Overview
Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate (CAS 1024368-23-7), with molecular formula C9H7ClF3NO2S and molecular weight 284.98 g/mol. IUPAC: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate
Property Insights of Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate
The XLogP value of 3.0189 indicates that Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate has 0 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 Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate?
The CAS number of Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate is 1024368-23-7.
What is the molecular formula of Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate?
The molecular formula of Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate is C9H7ClF3NO2S.
What is the molecular weight of Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate?
The molecular weight of Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate is 284.98 g/mol.
Where can I buy Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate?
You can request a quote for Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-chloro-5-(trifluoromethyl)pyridin-2-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.