Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)
TL;DR: Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) (CAS 63991-71-9) is a chemical compound with molecular formula C12H25NO3S2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-sulfosulfanylpropylamino)butan-2-ylcyclopentane
Also Known As: 3-((2-Cyclopentylbutyl)amino)propanethiol, hydrogen sulfate (ester), 1-(3-sulfosulfanylpropylamino)butan-2-ylcyclopentane, Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester), s-{3-[(2-cyclopentylbutyl)amino]propyl} hydrogen sulfurothioate, Thiosulfuric acid (H2S2O3), S-[3-[(2-cyclopentylbutyl)amino]propyl] ester
| Molecular Formula | C12H25NO3S2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 295.1276 |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 63991-71-9 |
|---|---|
| SMILES | CCC(CNCCCSS(=O)(=O)O)C1CCCC1 |
| InChIKey | HODBGFIUYJVOQB-UHFFFAOYSA-N |
Product Overview
Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) (CAS 63991-71-9), with molecular formula C12H25NO3S2 and molecular weight 295.13 g/mol. IUPAC: 1-(3-sulfosulfanylpropylamino)butan-2-ylcyclopentane.
Chemical Property Profile of Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)
Property Insights of Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester). The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Propanethiol, 3-((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 Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) is 63991-71-9.
What is the molecular formula of Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) is C12H25NO3S2.
What is the molecular weight of Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) is 295.13 g/mol.
Where can I buy Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Propanethiol, 3-((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 Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Propanethiol, 3-((2-cyclopentylbutyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.