3beta,5alpha,6beta-Trihydroxycholestane
TL;DR: 3beta,5alpha,6beta-Trihydroxycholestane (CAS 1253-84-5) 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.
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Also Known As: Cholestanetriol, 3beta,5alpha,6beta-Trihydroxycholestane, Cholestane triol, Cholestane-3beta,5alpha,6beta-triol, 5alpha,6beta-Dihydroxycholestanol
| Molecular Formula | C27H48O3 |
|---|---|
| Molecular Weight | 420.36 g/mol |
| LogP | 7.0 |
| 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 | 619.0 |
Chemical Identifiers
| CAS Number | 1253-84-5 |
|---|---|
| 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@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C |
| InChIKey | YMMFNKXZULYSOQ-RUXQDQFYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta,5alpha,6beta-Trihydroxycholestane (CAS 1253-84-5), with molecular formula C27H48O3 and molecular weight 420.36 g/mol. IUPAC: (3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol.
Chemical Property Profile of 3beta,5alpha,6beta-Trihydroxycholestane
Property Insights of 3beta,5alpha,6beta-Trihydroxycholestane
The XLogP value of 7.0 indicates that 3beta,5alpha,6beta-Trihydroxycholestane 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 3beta,5alpha,6beta-Trihydroxycholestane. Following Lipinski's Rule of Five, 3beta,5alpha,6beta-Trihydroxycholestane 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 3beta,5alpha,6beta-Trihydroxycholestane?
The CAS number of 3beta,5alpha,6beta-Trihydroxycholestane is 1253-84-5.
What is the molecular formula of 3beta,5alpha,6beta-Trihydroxycholestane?
The molecular formula of 3beta,5alpha,6beta-Trihydroxycholestane is C27H48O3.
What is the molecular weight of 3beta,5alpha,6beta-Trihydroxycholestane?
The molecular weight of 3beta,5alpha,6beta-Trihydroxycholestane is 420.36 g/mol.
Where can I buy 3beta,5alpha,6beta-Trihydroxycholestane?
You can request a quote for 3beta,5alpha,6beta-Trihydroxycholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,5alpha,6beta-Trihydroxycholestane?
Yes, KEHONG BIO provides custom synthesis services for 3beta,5alpha,6beta-Trihydroxycholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.