Cholest-8(14)-ene-3,26-diol-15-one
TL;DR: Cholest-8(14)-ene-3,26-diol-15-one (CAS 114182-43-3) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,9R,10S,13R,17R)-3-hydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Also Known As: CEDO, 3,26-Dihydroxycholest-8(14)-en-15-one, Cholest-8(14)-ene-3,26-diol-15-one, 5-alpha-Cholest-8(14)-ene-3-beta,26-diol-15-one, (25R)-3beta,26-Dihydroxy-5alpha-cholest-8(14)-en-15-one
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 114182-43-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)CO)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O |
| InChIKey | DSHHTQBAVZFVEB-FIQLLAGNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholest-8(14)-ene-3,26-diol-15-one (CAS 114182-43-3), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (3S,5S,9R,10S,13R,17R)-3-hydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one.
Chemical Property Profile of Cholest-8(14)-ene-3,26-diol-15-one
Property Insights of Cholest-8(14)-ene-3,26-diol-15-one
The XLogP value of 5.7 indicates that Cholest-8(14)-ene-3,26-diol-15-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Cholest-8(14)-ene-3,26-diol-15-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-8(14)-ene-3,26-diol-15-one has 2 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 Cholest-8(14)-ene-3,26-diol-15-one?
The CAS number of Cholest-8(14)-ene-3,26-diol-15-one is 114182-43-3.
What is the molecular formula of Cholest-8(14)-ene-3,26-diol-15-one?
The molecular formula of Cholest-8(14)-ene-3,26-diol-15-one is C27H44O3.
What is the molecular weight of Cholest-8(14)-ene-3,26-diol-15-one?
The molecular weight of Cholest-8(14)-ene-3,26-diol-15-one is 416.33 g/mol.
Where can I buy Cholest-8(14)-ene-3,26-diol-15-one?
You can request a quote for Cholest-8(14)-ene-3,26-diol-15-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-8(14)-ene-3,26-diol-15-one?
Yes, KEHONG BIO provides custom synthesis services for Cholest-8(14)-ene-3,26-diol-15-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.