Cholestanetriol
TL;DR: Cholestanetriol (CAS 72879-16-4) is a chemical compound with molecular formula C27H48O3 and molecular weight 420.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,3,3-triol
Also Known As: Cholestanetriol, (8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,3,3-triol
| Molecular Formula | C27H48O3 |
|---|---|
| Molecular Weight | 420.36 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.36035 |
| Heavy Atoms | 30 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 72879-16-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CC(C(C4)(O)O)O)C)C |
| InChIKey | AJNWPAVTXLOHTH-RRYOLQTISA-N |
Product Overview
Cholestanetriol (CAS 72879-16-4), with molecular formula C27H48O3 and molecular weight 420.36 g/mol. IUPAC: (8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-2,3,3-triol.
Chemical Property Profile of Cholestanetriol
Property Insights of Cholestanetriol
The XLogP value of 7.6 indicates that Cholestanetriol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholestanetriol. Following Lipinski's Rule of Five, Cholestanetriol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholestanetriol?
The CAS number of Cholestanetriol is 72879-16-4.
What is the molecular formula of Cholestanetriol?
The molecular formula of Cholestanetriol is C27H48O3.
What is the molecular weight of Cholestanetriol?
The molecular weight of Cholestanetriol is 420.36 g/mol.
Where can I buy Cholestanetriol?
You can request a quote for Cholestanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestanetriol?
Yes, KEHONG BIO provides custom synthesis services for Cholestanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.