Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride
TL;DR: Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride (CAS 26718-23-0) is a chemical compound with molecular formula C14H24ClNOS and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,6-dimethylphenoxy)butylamino]ethanethiol;hydrochloride
Also Known As: 4-bromobutyl O-chlorophenyl, 2-((4-(2,6-Xylyloxy)butyl)amino)ethanethiol hydrochloride, Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride, 2-[4-(2,6-dimethylphenoxy)butylamino]ethanethiol,hydrochloride, 2-[4-(2,6-dimethylphenoxy)butylamino]ethanethiol hydrochloride
| Molecular Formula | C14H24ClNOS |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 3.40364 |
| Topological Polar Surface Area | 22.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.1267 |
| Heavy Atoms | 18 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 26718-23-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCCCCNCCS.Cl |
| InChIKey | UPEFLMOAGLFPED-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride (CAS 26718-23-0), with molecular formula C14H24ClNOS and molecular weight 289.13 g/mol. IUPAC: 2-[4-(2,6-dimethylphenoxy)butylamino]ethanethiol;hydrochloride.
Chemical Property Profile of Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride
Property Insights of Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride
The XLogP value of 3.40364 indicates that Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.3 Ų, Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride has 3 hydrogen bond donor(s) and 3 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 Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride?
The CAS number of Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride is 26718-23-0.
What is the molecular formula of Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride?
The molecular formula of Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride is C14H24ClNOS.
What is the molecular weight of Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride?
The molecular weight of Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride is 289.13 g/mol.
Where can I buy Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride?
You can request a quote for Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((4-(2,6-xylyloxy)butyl)amino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.