Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester) (CAS 5376-26-1) is a chemical compound with molecular formula C16H22N2O4S2 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline
Also Known As: S-2-((5-(1-Isoquinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate, Ethanethiosulfuric acid, 2-(5-(1-isoquinolyloxy)pentyl)amino-, 2-[5-(1-Isoquinolyloxy)pentyl]aminoethanethiol sulfate, Thiosulfuric acid, S-(2-(5-(1-isoquinolyloxy)pentyl)amino)ethyl ester, Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
| Molecular Formula | C16H22N2O4S2 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 370.1021 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 5376-26-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2OCCCCCNCCSS(=O)(=O)O |
| InChIKey | HCCCKSXKQMGUDF-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester) (CAS 5376-26-1), with molecular formula C16H22N2O4S2 and molecular weight 370.10 g/mol. IUPAC: 1-[5-(2-sulfosulfanylethylamino)pentoxy]isoquinoline.
Chemical Property Profile of Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester). The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)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-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester) is 5376-26-1.
What is the molecular formula of Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester) is C16H22N2O4S2.
What is the molecular weight of Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester) is 370.10 g/mol.
Where can I buy Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)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-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.