Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)
TL;DR: Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) (CAS 67226-94-2) is a chemical compound with molecular formula C13H25NO3S2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1S)-2-bicyclo[2.2.1]heptanyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine
Also Known As: 2-((4-(2-Norbornyl)butyl)amino)ethanethiol, hydrogen sulfate (ester), Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester), 4-[(4S)-3-bicyclo[2.2.1]heptanyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine, O-(2-{[4-(Bicyclo[2.2.1]heptan-2-yl)butyl]amino}ethyl) hydrogen sulfurothioate, O-[2-({4-[(1S)-Bicyclo[2.2.1]heptan-2-yl]butyl}amino)ethyl] hydrogen sulfurothioate
| Molecular Formula | C13H25NO3S2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 2.3334 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 307.1276 |
| Heavy Atoms | 19 |
| Complexity | 372.08463 |
Chemical Identifiers
| CAS Number | 67226-94-2 |
|---|---|
| SMILES | C1CC2C[C@H]1C(C2)CCCCNCCOS(=O)(=S)O |
Product Overview
Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) (CAS 67226-94-2), with molecular formula C13H25NO3S2 and molecular weight 307.13 g/mol. IUPAC: 4-[(1S)-2-bicyclo[2.2.1]heptanyl]-N-(2-hydroxysulfonothioyloxyethyl)butan-1-amine.
Chemical Property Profile of Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)
Property Insights of Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)
The XLogP value of 2.3334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester). With a topological polar surface area (TPSA) of 58.56 Ų, Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) has 2 hydrogen bond donor(s) and 4 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-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)?
The CAS number of Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) is 67226-94-2.
What is the molecular formula of Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)?
The molecular formula of Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) is C13H25NO3S2.
What is the molecular weight of Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)?
The molecular weight of Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) is 307.13 g/mol.
Where can I buy Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)?
You can request a quote for Ethanethiol, 2-((4-(2-norbornyl)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 Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Ethanethiol, 2-((4-(2-norbornyl)butyl)amino)-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.