2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)
TL;DR: 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester) (CAS 5109-37-5) is a chemical compound with molecular formula C18H31NO4S2 and molecular weight 389.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-di(propan-2-yl)-5-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Also Known As: 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester), Ethanethiol, 2-((4-(3,5-diisopropylphenoxy)butyl)amino)-, hydrogen sulfate (ester), s-[2-({4-[3,5-di(propan-2-yl)phenoxy]butyl}amino)ethyl] hydrogen sulfurothioate, 1,3-di(propan-2-yl)-5-[4-(2-sulfosulfanylethylamino)butoxy]benzene, {[2-({4-[3,5-bis(propan-2-yl)phenoxy]butyl}amino)ethyl]sulfanyl}sulfonic acid
| Molecular Formula | C18H31NO4S2 |
|---|---|
| Molecular Weight | 389.17 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 389.16946 |
| Heavy Atoms | 25 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 5109-37-5 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C1)OCCCCNCCSS(=O)(=O)O)C(C)C |
| InChIKey | FUWZSUVUPBMAAQ-UHFFFAOYSA-N |
Product Overview
2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester) (CAS 5109-37-5), with molecular formula C18H31NO4S2 and molecular weight 389.17 g/mol. IUPAC: 1,3-di(propan-2-yl)-5-[4-(2-sulfosulfanylethylamino)butoxy]benzene.
Chemical Property Profile of 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)
Property Insights of 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester). The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester). Following Lipinski's Rule of Five, 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 6 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 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)?
The CAS number of 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester) is 5109-37-5.
What is the molecular formula of 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)?
The molecular formula of 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester) is C18H31NO4S2.
What is the molecular weight of 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)?
The molecular weight of 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester) is 389.17 g/mol.
Where can I buy 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)?
You can request a quote for 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, 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 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(3,5-Diisopropylphenoxy)butyl)amino)ethanethiol, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.