5alpha-Cholestane-3,6-dione
TL;DR: 5alpha-Cholestane-3,6-dione (CAS 2243-09-6) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Also Known As: 5alpha-Cholestane-3,6-dione, Cholestane-3,6-dione, 5a-cholestane-3,6-dione, Cholestane-3,6-dione #, (5alpha)-Cholestane-3,6-dione
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C27H44O2 |
| Molecular Weight | 400.33414 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.33414 Da |
| Heavy Atoms | 29 |
| Complexity | 651.0 |
| 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(CCC(=O)C4)C)C |
| InChIKey | LNGLEOIUQBVRRY-PWNVBJGISA-N |
Chemical Property Profile of 5alpha-Cholestane-3,6-dione
Property Insights of 5alpha-Cholestane-3,6-dione
The XLogP value of 7.3 indicates that 5alpha-Cholestane-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, 5alpha-Cholestane-3,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5alpha-Cholestane-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
What is the CAS number of 5alpha-Cholestane-3,6-dione?
The CAS number of 5alpha-Cholestane-3,6-dione is 2243-09-6.
What is the molecular formula of 5alpha-Cholestane-3,6-dione?
The molecular formula of 5alpha-Cholestane-3,6-dione is C27H44O2.
What is the molecular weight of 5alpha-Cholestane-3,6-dione?
The molecular weight of 5alpha-Cholestane-3,6-dione is 400.33414 g/mol.
Where can I buy 5alpha-Cholestane-3,6-dione?
You can request a quote for 5alpha-Cholestane-3,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5alpha-Cholestane-3,6-dione?
Yes, CoreyChem provides custom synthesis services for 5alpha-Cholestane-3,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.