Cholestane-3,6-diol, (3beta,5alpha,6beta)-
TL;DR: Cholestane-3,6-diol, (3beta,5alpha,6beta)- (CAS 6363-53-7) 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.
(3S,5S,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Also Known As: Cholestane-3,6-diol, 6beta-Hydroxycholestanol, 5alpha-Cholestane-3beta,6beta-diol, A-cholestane-3, A,6
| 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 | 5 |
| Exact Mass | 404.36542 |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 6363-53-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C |
| InChIKey | PMWTYEQRXYIMND-DTLXENBRSA-N |
Product Overview
Cholestane-3,6-diol, (3beta,5alpha,6beta)- (CAS 6363-53-7), with molecular formula C27H48O2 and molecular weight 404.37 g/mol. IUPAC: (3S,5S,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol.
Chemical Property Profile of Cholestane-3,6-diol, (3beta,5alpha,6beta)-
Property Insights of Cholestane-3,6-diol, (3beta,5alpha,6beta)-
The XLogP value of 8.0 indicates that Cholestane-3,6-diol, (3beta,5alpha,6beta)- 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-3,6-diol, (3beta,5alpha,6beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholestane-3,6-diol, (3beta,5alpha,6beta)- 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-3,6-diol, (3beta,5alpha,6beta)-?
The CAS number of Cholestane-3,6-diol, (3beta,5alpha,6beta)- is 6363-53-7.
What is the molecular formula of Cholestane-3,6-diol, (3beta,5alpha,6beta)-?
The molecular formula of Cholestane-3,6-diol, (3beta,5alpha,6beta)- is C27H48O2.
What is the molecular weight of Cholestane-3,6-diol, (3beta,5alpha,6beta)-?
The molecular weight of Cholestane-3,6-diol, (3beta,5alpha,6beta)- is 404.37 g/mol.
Where can I buy Cholestane-3,6-diol, (3beta,5alpha,6beta)-?
You can request a quote for Cholestane-3,6-diol, (3beta,5alpha,6beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestane-3,6-diol, (3beta,5alpha,6beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cholestane-3,6-diol, (3beta,5alpha,6beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.