Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) (CAS 6295-71-2) is a chemical compound with molecular formula C13H27NO3S2 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)hexan-1-amine
Also Known As: S-2-(((2-Cyclopentyl-2-butyl)ethyl)amino)ethyl thiosulfate, 2-((2-Cyclopentylhexyl)amino)ethanethiol hydrogen sulfate (ester), Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester), o-(2-{[(2s)-2-cyclopentylhexyl]amino}ethyl) hydrogen sulfurothioate, O-{2-[(2-Cyclopentylhexyl)amino]ethyl} hydrogen sulfurothioate
| Molecular Formula | C13H27NO3S2 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 309.14325 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 6295-71-2 |
|---|---|
| SMILES | CCCC[C@H](CNCCOS(=O)(=S)O)C1CCCC1 |
| InChIKey | KBCYZECVPKKIAZ-CYBMUJFWSA-N |
Product Overview
Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) (CAS 6295-71-2), with molecular formula C13H27NO3S2 and molecular weight 309.14 g/mol. IUPAC: (2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)hexan-1-amine.
Chemical Property Profile of Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)
The XLogP value of 4.9 indicates that Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 5 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-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) is 6295-71-2.
What is the molecular formula of Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) is C13H27NO3S2.
What is the molecular weight of Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) is 309.14 g/mol.
Where can I buy Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-(2-cyclopentylhexyl)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-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-(2-cyclopentylhexyl)amino-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.