Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride
TL;DR: Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride (CAS 26716-46-1) is a chemical compound with molecular formula C13H22ClNOS and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-methylphenoxy)butylamino]ethanethiol;hydrochloride
Also Known As: 4-bromobutyl O-chlorophenyl, 2-((4-(p-Tolyloxy)butyl)amino)ethanethiol hydrochloride, Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride, 2-[4-(4-methylphenoxy)butylamino]ethanethiol,hydrochloride, 2-[4-(4-methylphenoxy)butylamino]ethanethiol hydrochloride
| Molecular Formula | C13H22ClNOS |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | 3.09522 |
| Topological Polar Surface Area | 22.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 275.11105 |
| Heavy Atoms | 17 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 26716-46-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCCCNCCS.Cl |
| InChIKey | BCWZBBHQEMLXFJ-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride (CAS 26716-46-1), with molecular formula C13H22ClNOS and molecular weight 275.11 g/mol. IUPAC: 2-[4-(4-methylphenoxy)butylamino]ethanethiol;hydrochloride.
Chemical Property Profile of Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride
Property Insights of Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride
The XLogP value of 3.09522 indicates that Ethanethiol, 2-((4-(p-tolyloxy)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-(p-tolyloxy)butyl)amino)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-((4-(p-tolyloxy)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-(p-tolyloxy)butyl)amino)-, hydrochloride?
The CAS number of Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride is 26716-46-1.
What is the molecular formula of Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride?
The molecular formula of Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride is C13H22ClNOS.
What is the molecular weight of Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride?
The molecular weight of Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride is 275.11 g/mol.
Where can I buy Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride?
You can request a quote for Ethanethiol, 2-((4-(p-tolyloxy)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-(p-tolyloxy)butyl)amino)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((4-(p-tolyloxy)butyl)amino)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.