Cholest-5-ene-3 beta,26-diol
TL;DR: Cholest-5-ene-3 beta,26-diol (CAS 13095-61-9) is a chemical compound with molecular formula C27H46O2 and molecular weight 402.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 26-Hydroxycholesterol, 27-hydroxycholesterol, Cholest-5-ene-3beta,26-diol, 26-hydroxy-cholesterol, 27-hydroxy-cholesterol
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 13095-61-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | FYHRJWMENCALJY-CCDZVGGQSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholest-5-ene-3 beta,26-diol (CAS 13095-61-9), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Cholest-5-ene-3 beta,26-diol
Property Insights of Cholest-5-ene-3 beta,26-diol
The XLogP value of 7.1 indicates that Cholest-5-ene-3 beta,26-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Cholest-5-ene-3 beta,26-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-ene-3 beta,26-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholest-5-ene-3 beta,26-diol?
The CAS number of Cholest-5-ene-3 beta,26-diol is 13095-61-9.
What is the molecular formula of Cholest-5-ene-3 beta,26-diol?
The molecular formula of Cholest-5-ene-3 beta,26-diol is C27H46O2.
What is the molecular weight of Cholest-5-ene-3 beta,26-diol?
The molecular weight of Cholest-5-ene-3 beta,26-diol is 402.35 g/mol.
Where can I buy Cholest-5-ene-3 beta,26-diol?
You can request a quote for Cholest-5-ene-3 beta,26-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-ene-3 beta,26-diol?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-ene-3 beta,26-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.