Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) (CAS 6294-70-8) is a chemical compound with molecular formula C11H23NO3S2 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine
Also Known As: S-2-((2-Cyclopentylbutyl)amino)ethyl thiosulfate, 2-((2-Cyclopentylbutyl)amino)ethanethiol, hydrogen sulfate (ester), ThiosulfuricacidhydrogenS-[2-[ amino]ethyl]ester, Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester), o-(2-{[(2s)-2-cyclopentylbutyl]amino}ethyl) hydrogen sulfurothioate
| Molecular Formula | C11H23NO3S2 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 281.11194 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 6294-70-8 |
|---|---|
| SMILES | CC[C@H](CNCCOS(=O)(=S)O)C1CCCC1 |
| InChIKey | SEBZMEGIAVOMEZ-SNVBAGLBSA-N |
Product Overview
Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) (CAS 6294-70-8), with molecular formula C11H23NO3S2 and molecular weight 281.11 g/mol. IUPAC: (2S)-2-cyclopentyl-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine.
Chemical Property Profile of Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)
The XLogP value of 3.8 indicates that Ethanethiol, 2-((2-cyclopentylbutyl)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-cyclopentylbutyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Ethanethiol, 2-((2-cyclopentylbutyl)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-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) is 6294-70-8.
What is the molecular formula of Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) is C11H23NO3S2.
What is the molecular weight of Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) is 281.11 g/mol.
Where can I buy Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-((2-cyclopentylbutyl)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-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.