Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)
TL;DR: Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester) (CAS 6293-90-9) is a chemical compound with molecular formula C14H29NO3S2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-(1-hydroxysulfonothioyloxypropan-2-yl)-2-(3-methylcyclohexyl)butan-1-amine
Also Known As: 2-((2-(3-Methylcyclohexyl)butyl)amino)propanethiol, hydrogen sulfate (ester), o-(2-{[(2s)-2-(3-methylcyclohexyl)butyl]amino}propyl) hydrogen sulfurothioate, Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester), O-(2-{[2-(3-Methylcyclohexyl)butyl]amino}propyl) hydrogen sulfurothioate, Thiosulfuric acid S-{2-[2-(3-methyl-cyclohexyl)-butylamino]-propyl} ester
| Molecular Formula | C14H29NO3S2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 323.15887 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 6293-90-9 |
|---|---|
| SMILES | CC[C@H](CNC(C)COS(=O)(=S)O)C1CCCC(C1)C |
| InChIKey | JYBPEUDXJCXUHT-WCFLAILDSA-N |
Product Overview
Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester) (CAS 6293-90-9), with molecular formula C14H29NO3S2 and molecular weight 323.16 g/mol. IUPAC: (2S)-N-(1-hydroxysulfonothioyloxypropan-2-yl)-2-(3-methylcyclohexyl)butan-1-amine.
Chemical Property Profile of Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)
Property Insights of Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)
The XLogP value of 5.0 indicates that Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)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 Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)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, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester) is 6293-90-9.
What is the molecular formula of Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester) is C14H29NO3S2.
What is the molecular weight of Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester) is 323.16 g/mol.
Where can I buy Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)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, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Propanethiol, 2-((2-(3-methylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.