Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) (CAS 24098-77-9) is a chemical compound with molecular formula C22H29Cl2NO5S2 and molecular weight 521.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-[4-[4-(4-chlorophenoxy)butyl-(2-sulfosulfanylethyl)amino]butoxy]benzene
Also Known As: S-2-(Bis(4-(p-chlorophenoxy)butyl)amino)ethyl thiosulfate, 2-(Bis(4-(p-chlorophenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester), s-(2-{bis[4-(4-chlorophenoxy)butyl]amino}ethyl) hydrogen sulfurothioate, Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester), 2-[Bis[4-(p-chlorophenoxy)butyl]amino]ethanethiol sulfate
| Molecular Formula | C22H29Cl2NO5S2 |
|---|---|
| Molecular Weight | 521.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 521.0864 |
| Heavy Atoms | 32 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 24098-77-9 |
|---|---|
| SMILES | C1=CC(=CC=C1OCCCCN(CCCCOC2=CC=C(C=C2)Cl)CCSS(=O)(=O)O)Cl |
| InChIKey | WFJHQGRQWDDBJB-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) (CAS 24098-77-9), with molecular formula C22H29Cl2NO5S2 and molecular weight 521.09 g/mol. IUPAC: 1-chloro-4-[4-[4-(4-chlorophenoxy)butyl-(2-sulfosulfanylethyl)amino]butoxy]benzene.
Chemical Property Profile of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)
The XLogP value of 3.3 indicates that Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) is 24098-77-9.
What is the molecular formula of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) is C22H29Cl2NO5S2.
What is the molecular weight of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) is 521.09 g/mol.
Where can I buy Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(bis(4-(p-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.