Halistanol
TL;DR: Halistanol (CAS 79405-68-8) is a chemical compound with molecular formula C29H52O3 and molecular weight 448.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8S,10R,13R)-10,13-dimethyl-17-[(2R)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol
Also Known As: Halistanol, NCI60_006472, (14xi,17xi,24xi)-25-Methyl-9xi-ergostane-2beta,3,6-triol, (2S,8S,10R,13R)-10,13-dimethyl-17-[(2R)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol
| Molecular Formula | C29H52O3 |
|---|---|
| Molecular Weight | 448.39 g/mol |
| LogP | 6.0463 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.39163 |
| Heavy Atoms | 32 |
| Complexity | 669.80334 |
Chemical Identifiers
| CAS Number | 79405-68-8 |
|---|---|
| SMILES | C[C@H](CCC(C)C(C)(C)C)C1CCC2[C@@]1(CCC3[C@H]2CC(C4[C@@]3(C[C@@H](C(C4)O)O)C)O)C |
Product Overview
Halistanol (CAS 79405-68-8), with molecular formula C29H52O3 and molecular weight 448.39 g/mol. IUPAC: (2S,8S,10R,13R)-10,13-dimethyl-17-[(2R)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triol.
Chemical Property Profile of Halistanol
Property Insights of Halistanol
The XLogP value of 6.0463 indicates that Halistanol 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 Halistanol. Following Lipinski's Rule of Five, Halistanol 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 Halistanol?
The CAS number of Halistanol is 79405-68-8.
What is the molecular formula of Halistanol?
The molecular formula of Halistanol is C29H52O3.
What is the molecular weight of Halistanol?
The molecular weight of Halistanol is 448.39 g/mol.
Where can I buy Halistanol?
You can request a quote for Halistanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halistanol?
Yes, KEHONG BIO provides custom synthesis services for Halistanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.