Cholestan-6-oxo-3,5-diol
TL;DR: Cholestan-6-oxo-3,5-diol (CAS 15167-22-3) is a chemical compound with molecular formula C27H46O3 and molecular weight 418.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Yakkasterone, cholestan-6-oxo-3,5-diol, 6-Oxo-3,5-diol, A-hydroxy-6-keto Cholesterol, 5-Hydroxy-6-keto cholesterol
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 15167-22-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]4([C@@]3(CC[C@@H](C4)O)C)O)C |
| InChIKey | SJZZRXMQSAXCFD-ZCBMJONGSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholestan-6-oxo-3,5-diol (CAS 15167-22-3), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: (3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of Cholestan-6-oxo-3,5-diol
Property Insights of Cholestan-6-oxo-3,5-diol
The XLogP value of 7.0 indicates that Cholestan-6-oxo-3,5-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Cholestan-6-oxo-3,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholestan-6-oxo-3,5-diol 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 Cholestan-6-oxo-3,5-diol?
The CAS number of Cholestan-6-oxo-3,5-diol is 15167-22-3.
What is the molecular formula of Cholestan-6-oxo-3,5-diol?
The molecular formula of Cholestan-6-oxo-3,5-diol is C27H46O3.
What is the molecular weight of Cholestan-6-oxo-3,5-diol?
The molecular weight of Cholestan-6-oxo-3,5-diol is 418.34 g/mol.
Where can I buy Cholestan-6-oxo-3,5-diol?
You can request a quote for Cholestan-6-oxo-3,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestan-6-oxo-3,5-diol?
Yes, KEHONG BIO provides custom synthesis services for Cholestan-6-oxo-3,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.