S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate
TL;DR: S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate (CAS 2417-22-3) is a chemical compound with molecular formula C13H18F3NO4S2 and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene
Also Known As: S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate, s-[2-({4-[3-(trifluoromethyl)phenoxy]butyl}amino)ethyl] hydrogen sulfurothioate, 1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene, Ethanethiol, 2-(4-(alpha,alpha,alpha-trifluoro-m-tolyloxy)butyl)amino-, hydrogen sulfate (ester), 2-[4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl]aminoethanethiol sulfate
| Molecular Formula | C13H18F3NO4S2 |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 373.06293 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 2417-22-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCCNCCSS(=O)(=O)O)C(F)(F)F |
| InChIKey | YXSDZZGPFUAKIW-UHFFFAOYSA-N |
Product Overview
S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate (CAS 2417-22-3), with molecular formula C13H18F3NO4S2 and molecular weight 373.06 g/mol. IUPAC: 1-[4-(2-sulfosulfanylethylamino)butoxy]-3-(trifluoromethyl)benzene.
Chemical Property Profile of S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate
Property Insights of S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate. Following Lipinski's Rule of Five, S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate has 2 hydrogen bond donor(s) and 9 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 S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate?
The CAS number of S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate is 2417-22-3.
What is the molecular formula of S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate?
The molecular formula of S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate is C13H18F3NO4S2.
What is the molecular weight of S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate?
The molecular weight of S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate is 373.06 g/mol.
Where can I buy S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate?
You can request a quote for S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate?
Yes, KEHONG BIO provides custom synthesis services for S-2-((4-(alpha,alpha,alpha-Trifluoro-m-tolyloxy)butyl)amino)ethyl thiosulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.