3alpha,7alpha,12alpha-Trihydroxycholestane
TL;DR: 3alpha,7alpha,12alpha-Trihydroxycholestane (CAS 16669-19-5) 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.
(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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: Trihydroxycoprostane, 5a-cholestane-3a,7a,12a-triol, 3alpha,7alpha,12alpha-trihydroxycholestane, 5alpha-Cholestane-3alpha,7alpha,12alpha-triol, 5alpha-Cholestan-3alpha,7alpha,12alpha-triol
| Molecular Formula | C27H48O3 |
|---|---|
| Molecular Weight | 420.36 g/mol |
| LogP | 5.4102 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.36035 |
| Heavy Atoms | 30 |
| Complexity | 604.9156 |
Chemical Identifiers
| CAS Number | 16669-19-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[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
3alpha,7alpha,12alpha-Trihydroxycholestane (CAS 16669-19-5), with molecular formula C27H48O3 and molecular weight 420.36 g/mol. IUPAC: (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-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 3alpha,7alpha,12alpha-Trihydroxycholestane
Property Insights of 3alpha,7alpha,12alpha-Trihydroxycholestane
The XLogP value of 5.4102 indicates that 3alpha,7alpha,12alpha-Trihydroxycholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 3alpha,7alpha,12alpha-Trihydroxycholestane. Following Lipinski's Rule of Five, 3alpha,7alpha,12alpha-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 3alpha,7alpha,12alpha-Trihydroxycholestane?
The CAS number of 3alpha,7alpha,12alpha-Trihydroxycholestane is 16669-19-5.
What is the molecular formula of 3alpha,7alpha,12alpha-Trihydroxycholestane?
The molecular formula of 3alpha,7alpha,12alpha-Trihydroxycholestane is C27H48O3.
What is the molecular weight of 3alpha,7alpha,12alpha-Trihydroxycholestane?
The molecular weight of 3alpha,7alpha,12alpha-Trihydroxycholestane is 420.36 g/mol.
Where can I buy 3alpha,7alpha,12alpha-Trihydroxycholestane?
You can request a quote for 3alpha,7alpha,12alpha-Trihydroxycholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha,7alpha,12alpha-Trihydroxycholestane?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,7alpha,12alpha-Trihydroxycholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.