Cholestane-3,27-diol
TL;DR: Cholestane-3,27-diol (CAS 94482-23-2) is a chemical compound with molecular formula C27H48O2 and molecular weight 404.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Cholestane-3,27-diol, 5beta-Cholestane-3alpha,26-diol, 5beta-Cholestane-3alpha,27-diol, A-cholestane-3, A,27-diol
| Molecular Formula | C27H48O2 |
|---|---|
| Molecular Weight | 404.37 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.36542 |
| Heavy Atoms | 29 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 94482-23-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | DKISDYAXCJJSLZ-RKOYIKFYSA-N |
Product Overview
Cholestane-3,27-diol (CAS 94482-23-2), with molecular formula C27H48O2 and molecular weight 404.37 g/mol. IUPAC: (3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Cholestane-3,27-diol
Property Insights of Cholestane-3,27-diol
The XLogP value of 8.0 indicates that Cholestane-3,27-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Cholestane-3,27-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholestane-3,27-diol has 2 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 Cholestane-3,27-diol?
The CAS number of Cholestane-3,27-diol is 94482-23-2.
What is the molecular formula of Cholestane-3,27-diol?
The molecular formula of Cholestane-3,27-diol is C27H48O2.
What is the molecular weight of Cholestane-3,27-diol?
The molecular weight of Cholestane-3,27-diol is 404.37 g/mol.
Where can I buy Cholestane-3,27-diol?
You can request a quote for Cholestane-3,27-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestane-3,27-diol?
Yes, KEHONG BIO provides custom synthesis services for Cholestane-3,27-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.