5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol
TL;DR: 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol (CAS 93368-85-5) is a chemical compound with molecular formula C27H48O7 and molecular weight 484.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6R,7S,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7,15,16-hexol
Also Known As: Cholestane-3,5,6,7,15,16,26-heptol, 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol, Carbamimidothioic acid,N-methyl-N'-phenyl-,propyl ester, 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptaol, Cholestane-3,5,6,7,15,16,26-heptol, (3beta,5alpha,6beta,7alpha,15alpha,16beta)-
| Molecular Formula | C27H48O7 |
|---|---|
| Molecular Weight | 484.34 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.34 |
| Heavy Atoms | 34 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 93368-85-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)CO)[C@H]1[C@H]([C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)O)C)O)O |
| InChIKey | OUIDDJQSHXRSHT-SCSYQTAYSA-N |
Product Overview
5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol (CAS 93368-85-5), with molecular formula C27H48O7 and molecular weight 484.34 g/mol. IUPAC: (3S,5R,6R,7S,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7,15,16-hexol.
Chemical Property Profile of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol
Property Insights of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol. The TPSA of 142.0 Ų indicates high polarity, suggesting 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol?
The CAS number of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol is 93368-85-5.
What is the molecular formula of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol?
The molecular formula of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol is C27H48O7.
What is the molecular weight of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol?
The molecular weight of 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol is 484.34 g/mol.
Where can I buy 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol?
You can request a quote for 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Cholestane-3beta,5,6beta,7alpha,15alpha,16beta,26-heptol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.