3-Doxylcholestane
TL;DR: 3-Doxylcholestane (CAS 18353-76-9) is a chemical compound with molecular formula C31H54NO2 and molecular weight 472.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 3-Doxylcholestane, IK-1 Cpd, 3-Doxyl-5-alpha-cholestane, 3-Doxyl-5-alpha-cholestane, free radical, 3-DOXYL-5ALPHA-CHOLESTANE, FREE RADICAL
| Molecular Formula | C31H54NO2 |
|---|---|
| Molecular Weight | 472.42 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 13.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.41547 |
| Heavy Atoms | 34 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 18353-76-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC5(C4)N(C(CO5)(C)C)[O])C)C |
| InChIKey | ODDFHESUNMAHDN-MIAPIHAXSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Doxylcholestane (CAS 18353-76-9), with molecular formula C31H54NO2 and molecular weight 472.42 g/mol.
Chemical Property Profile of 3-Doxylcholestane
Property Insights of 3-Doxylcholestane
The XLogP value of 9.8 indicates that 3-Doxylcholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.5 Ų, 3-Doxylcholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Doxylcholestane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Doxylcholestane?
The CAS number of 3-Doxylcholestane is 18353-76-9.
What is the molecular formula of 3-Doxylcholestane?
The molecular formula of 3-Doxylcholestane is C31H54NO2.
What is the molecular weight of 3-Doxylcholestane?
The molecular weight of 3-Doxylcholestane is 472.42 g/mol.
Where can I buy 3-Doxylcholestane?
You can request a quote for 3-Doxylcholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Doxylcholestane?
Yes, KEHONG BIO provides custom synthesis services for 3-Doxylcholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.