Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) (CAS 53761-55-0) is a chemical compound with molecular formula C14H18N2O4S2 and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-sulfosulfanylethylamino)propoxy]isoquinoline
Also Known As: 2-[3- propyl]aminoethanethiolsulfate, S-2-((3-(1-Isoquinolyloxy)propyl)amino)ethyl hydrogen thiosulfate, Ethanethiosulfuric acid, 2-(3-(1-isoquinolyloxy)propyl)amino-, Thiosulfuric acid, S-(2-(3-(1-isoquinolyloxy)propyl)amino)ethyl ester, 1-[3-(2-sulfosulfanylethylamino)propoxy]isoquinoline
| Molecular Formula | C14H18N2O4S2 |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.0708 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 53761-55-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2OCCCNCCSS(=O)(=O)O |
| InChIKey | PUCADCOCQQBSLL-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) (CAS 53761-55-0), with molecular formula C14H18N2O4S2 and molecular weight 342.07 g/mol. IUPAC: 1-[3-(2-sulfosulfanylethylamino)propoxy]isoquinoline.
Chemical Property Profile of Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)
The XLogP value of -0.6 indicates that Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 7 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-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) is 53761-55-0.
What is the molecular formula of Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) is C14H18N2O4S2.
What is the molecular weight of Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) is 342.07 g/mol.
Where can I buy Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)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-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(3-(1-isoquinolyloxy)propyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.