坎利酮
TL;DR: 坎利酮 (CAS 976-71-6) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
坎利酮
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Also Known As: CANRENONE, Aldadiene, Phanurane, Luvion, Canrenona
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 719.0 |
| Melting Point | 150 °C |
Chemical Identifiers
| CAS Number | 976-71-6 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C |
| InChIKey | UJVLDDZCTMKXJK-WNHSNXHDSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
坎利酮 (CAS 976-71-6), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione.
Chemical Property Profile of 坎利酮
Property Insights of 坎利酮
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 坎利酮. With a topological polar surface area (TPSA) of 43.4 Ų, 坎利酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 坎利酮 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 坎利酮?
The CAS number of 坎利酮 is 976-71-6.
What is the molecular formula of 坎利酮?
The molecular formula of 坎利酮 is C22H28O3.
What is the molecular weight of 坎利酮?
The molecular weight of 坎利酮 is 340.20 g/mol.
Where can I buy 坎利酮?
You can request a quote for 坎利酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 坎利酮?
Yes, KEHONG BIO provides custom synthesis services for 坎利酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.