5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol
TL;DR: 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol (CAS 6785-34-8) 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)-17-[(2R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-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: Scymnol, 5beta-Cholestane-3alpha,7alpha,12alpha,24,26,27-hexol, 5beta-cholestan-3alpha,7alpha,12alpha,24,26,27-hexol, (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-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 | 2.3258 |
| Topological Polar Surface Area | 121.38 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.3451 |
| Heavy Atoms | 33 |
| Complexity | 668.997 |
Chemical Identifiers
| CAS Number | 6785-34-8 |
|---|---|
| SMILES | C[C@H](CCC(C(CO)CO)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
5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol (CAS 6785-34-8), with molecular formula C27H48O6 and molecular weight 468.35 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5,7-dihydroxy-6-(hydroxymethyl)heptan-2-yl]-10,13-dimethyl-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 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol
Property Insights of 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol
The XLogP value of 2.3258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol. The TPSA of 121.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol. Following Lipinski's Rule of Five, 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-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 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol?
The CAS number of 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol is 6785-34-8.
What is the molecular formula of 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol?
The molecular formula of 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol is C27H48O6.
What is the molecular weight of 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol?
The molecular weight of 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol is 468.35 g/mol.
Where can I buy 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol?
You can request a quote for 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Cholestan-3alpha,7alpha,12alpha,24,26,27-hexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.