Nor-pristane
TL;DR: Nor-pristane (CAS 50699-38-2) is a chemical compound with molecular formula C17H29NO4S2 and molecular weight 375.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-methyl-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene
Also Known As: Nor-pristane, s-(2-{[4-(2-tert-butyl-4-methylphenoxy)butyl]amino}ethyl) hydrogen sulfurothioate, 2-[[4-[2-4-methylphenoxy]butyl]amino]ethanethiolsulfate, 2-((4-(2-tert-Butyl-p-tolyloxy)butyl)amino)ethanethiol, hydrogen sulfate (ester), Ethanethiol, 2-((4-(2-tert-butyl-p-tolyloxy)butyl)amino)-, hydrogen sulfate (ester)
| Molecular Formula | C17H29NO4S2 |
|---|---|
| Molecular Weight | 375.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 375.1538 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 50699-38-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OCCCCNCCSS(=O)(=O)O)C(C)(C)C |
| InChIKey | OEBJTLJHBPKNAJ-UHFFFAOYSA-N |
Product Overview
Nor-pristane (CAS 50699-38-2), with molecular formula C17H29NO4S2 and molecular weight 375.15 g/mol. IUPAC: 2-tert-butyl-4-methyl-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene.
Chemical Property Profile of Nor-pristane
Property Insights of Nor-pristane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nor-pristane. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nor-pristane. Following Lipinski's Rule of Five, Nor-pristane has 2 hydrogen bond donor(s) and 6 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 Nor-pristane?
The CAS number of Nor-pristane is 50699-38-2.
What is the molecular formula of Nor-pristane?
The molecular formula of Nor-pristane is C17H29NO4S2.
What is the molecular weight of Nor-pristane?
The molecular weight of Nor-pristane is 375.15 g/mol.
Where can I buy Nor-pristane?
You can request a quote for Nor-pristane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nor-pristane?
Yes, KEHONG BIO provides custom synthesis services for Nor-pristane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.