Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester) (CAS 53735-49-2) is a chemical compound with molecular formula C12H19BrN2O4S2 and molecular weight 398.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-[5-(2-sulfosulfanylethylamino)pentoxy]pyridine
Also Known As: S-2-((5-(3-Bromo-4-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfate, Ethanethiosulfuric acid, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, Thiosulfuric acid, S-(2-((5-(3-bromo-4-pyridyloxy)pentyl)amino)ethyl) ester, Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester), s-[2-({5-[(3-bromopyridin-4-yl)oxy]pentyl}amino)ethyl] hydrogen sulfurothioate
| Molecular Formula | C12H19BrN2O4S2 |
|---|---|
| Molecular Weight | 398.00 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.99695 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 53735-49-2 |
|---|---|
| SMILES | C1=CN=CC(=C1OCCCCCNCCSS(=O)(=O)O)Br |
| InChIKey | JDMBNZQEQLWXRA-UHFFFAOYSA-N |
Product Overview
Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester) (CAS 53735-49-2), with molecular formula C12H19BrN2O4S2 and molecular weight 398.00 g/mol. IUPAC: 3-bromo-4-[5-(2-sulfosulfanylethylamino)pentoxy]pyridine.
Chemical Property Profile of Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
The XLogP value of -0.8 indicates that Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)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-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)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-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester) is 53735-49-2.
What is the molecular formula of Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester) is C12H19BrN2O4S2.
What is the molecular weight of Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester) is 398.00 g/mol.
Where can I buy Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)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-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(5-(3-bromo-4-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.