Cholestan-6-one, 3-hydroxy-, (3beta)-
TL;DR: Cholestan-6-one, 3-hydroxy-, (3beta)- (CAS 70223-10-8) 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)-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, 3beta-OH-6-one, A-Cholestan-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 | 70223-10-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | JQMQKOQOLPGBBE-DNFLUMAFSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholestan-6-one, 3-hydroxy-, (3beta)- (CAS 70223-10-8), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: (3S,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 Cholestan-6-one, 3-hydroxy-, (3beta)-
Property Insights of Cholestan-6-one, 3-hydroxy-, (3beta)-
The XLogP value of 7.7 indicates that Cholestan-6-one, 3-hydroxy-, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Cholestan-6-one, 3-hydroxy-, (3beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholestan-6-one, 3-hydroxy-, (3beta)- 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 Cholestan-6-one, 3-hydroxy-, (3beta)-?
The CAS number of Cholestan-6-one, 3-hydroxy-, (3beta)- is 70223-10-8.
What is the molecular formula of Cholestan-6-one, 3-hydroxy-, (3beta)-?
The molecular formula of Cholestan-6-one, 3-hydroxy-, (3beta)- is C27H46O2.
What is the molecular weight of Cholestan-6-one, 3-hydroxy-, (3beta)-?
The molecular weight of Cholestan-6-one, 3-hydroxy-, (3beta)- is 402.35 g/mol.
Where can I buy Cholestan-6-one, 3-hydroxy-, (3beta)-?
You can request a quote for Cholestan-6-one, 3-hydroxy-, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestan-6-one, 3-hydroxy-, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cholestan-6-one, 3-hydroxy-, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.