Cholestane-3,7,12,24,25,26-hexol
TL;DR: Cholestane-3,7,12,24,25,26-hexol (CAS 110612-30-1) is a chemical compound with molecular formula C27H48O6 and molecular weight 468.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Also Known As: 5beta-Cholestanehexol, 5 beta-cholestanehexol, Cholestane-3,7,12,24,25,26-hexol, 5beta-Cholestane-3-alpha,7alpha,12alpha,24,25,26-hexol, (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
| Molecular Formula | C27H48O6 |
|---|---|
| Molecular Weight | 468.35 g/mol |
| LogP | 2.4683 |
| Topological Polar Surface Area | 121.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.3451 |
| Heavy Atoms | 33 |
| Complexity | 698.09906 |
Chemical Identifiers
| CAS Number | 110612-30-1 |
|---|---|
| SMILES | C[C@H](CC[C@@H](C(C)(CO)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
Cholestane-3,7,12,24,25,26-hexol (CAS 110612-30-1), with molecular formula C27H48O6 and molecular weight 468.35 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R,5S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol.
Chemical Property Profile of Cholestane-3,7,12,24,25,26-hexol
Property Insights of Cholestane-3,7,12,24,25,26-hexol
The XLogP value of 2.4683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cholestane-3,7,12,24,25,26-hexol. The TPSA of 121.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholestane-3,7,12,24,25,26-hexol. Following Lipinski's Rule of Five, Cholestane-3,7,12,24,25,26-hexol has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholestane-3,7,12,24,25,26-hexol?
The CAS number of Cholestane-3,7,12,24,25,26-hexol is 110612-30-1.
What is the molecular formula of Cholestane-3,7,12,24,25,26-hexol?
The molecular formula of Cholestane-3,7,12,24,25,26-hexol is C27H48O6.
What is the molecular weight of Cholestane-3,7,12,24,25,26-hexol?
The molecular weight of Cholestane-3,7,12,24,25,26-hexol is 468.35 g/mol.
Where can I buy Cholestane-3,7,12,24,25,26-hexol?
You can request a quote for Cholestane-3,7,12,24,25,26-hexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestane-3,7,12,24,25,26-hexol?
Yes, KEHONG BIO provides custom synthesis services for Cholestane-3,7,12,24,25,26-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.