Cholest-4-ene-3,6-dione
TL;DR: Cholest-4-ene-3,6-dione (CAS 984-84-9) is a chemical compound with molecular formula C27H42O2 and molecular weight 398.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Also Known As: Cholest-4-ene-3,6-dione, Cholest-4-en-3,6-dione, 4-Cholestene-3,6-dione, .DELTA.4-Cholestene-3,6-dione, CHOLEST-5-ENE-3,6-DIONE
| Molecular Formula | C27H42O2 |
|---|---|
| Molecular Weight | 398.32 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.31848 |
| Heavy Atoms | 29 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 984-84-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=CC(=O)CC[C@]34C)C |
| InChIKey | GWOSBUGZGFVDDS-LKGWFGLDSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholest-4-ene-3,6-dione (CAS 984-84-9), with molecular formula C27H42O2 and molecular weight 398.32 g/mol. IUPAC: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione.
Chemical Property Profile of Cholest-4-ene-3,6-dione
Property Insights of Cholest-4-ene-3,6-dione
The XLogP value of 7.6 indicates that Cholest-4-ene-3,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Cholest-4-ene-3,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-4-ene-3,6-dione has 0 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-4-ene-3,6-dione?
The CAS number of Cholest-4-ene-3,6-dione is 984-84-9.
What is the molecular formula of Cholest-4-ene-3,6-dione?
The molecular formula of Cholest-4-ene-3,6-dione is C27H42O2.
What is the molecular weight of Cholest-4-ene-3,6-dione?
The molecular weight of Cholest-4-ene-3,6-dione is 398.32 g/mol.
Where can I buy Cholest-4-ene-3,6-dione?
You can request a quote for Cholest-4-ene-3,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-4-ene-3,6-dione?
Yes, KEHONG BIO provides custom synthesis services for Cholest-4-ene-3,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.