6-Ketocholestanol
TL;DR: 6-Ketocholestanol (CAS 1175-06-0) 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,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Also Known As: 6-Ketocholestanol, 6-Oxocholestanol, 6-Keto Cholestanol, 5?-Cholestan-6-one, 5alpha-Cholestan-3beta-ol-6-one
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 1175-06-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | JQMQKOQOLPGBBE-ZNCJEFCDSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ketocholestanol (CAS 1175-06-0), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: (3S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one.
Chemical Property Profile of 6-Ketocholestanol
Property Insights of 6-Ketocholestanol
The XLogP value of 7.7 indicates that 6-Ketocholestanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Ketocholestanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ketocholestanol has 1 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 6-Ketocholestanol?
The CAS number of 6-Ketocholestanol is 1175-06-0.
What is the molecular formula of 6-Ketocholestanol?
The molecular formula of 6-Ketocholestanol is C27H46O2.
What is the molecular weight of 6-Ketocholestanol?
The molecular weight of 6-Ketocholestanol is 402.35 g/mol.
Where can I buy 6-Ketocholestanol?
You can request a quote for 6-Ketocholestanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ketocholestanol?
Yes, KEHONG BIO provides custom synthesis services for 6-Ketocholestanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.