Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-
TL;DR: Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- (CAS 3566-39-0) is a chemical compound with molecular formula C23H28O5 and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: 4-Anhydrostrophanthidone, delta4-Anhydrostrophanthidone, delta(sup 4)-Anhydrostrophanthidone, Carda-4,20(22)-dienolide, 3,19-dioxo-14-hydroxy-, 3,19-Dioxo-14-hydroxycarda-4,20(22)-dienolide
| Molecular Formula | C23H28O5 |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.19366 |
| Heavy Atoms | 28 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 3566-39-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5=CC(=O)CC[C@]35C=O |
| InChIKey | AFBBQIAZHOGXJU-IOEODSHDSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- (CAS 3566-39-0), with molecular formula C23H28O5 and molecular weight 384.19 g/mol. IUPAC: (8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-3-oxo-17-(5-oxo-2H-furan-3-yl)-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-
Property Insights of Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-. Following Lipinski's Rule of Five, Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- has 1 hydrogen bond donor(s) and 5 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 Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-?
The CAS number of Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- is 3566-39-0.
What is the molecular formula of Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-?
The molecular formula of Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- is C23H28O5.
What is the molecular weight of Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-?
The molecular weight of Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- is 384.19 g/mol.
Where can I buy Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-?
You can request a quote for Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo-?
Yes, KEHONG BIO provides custom synthesis services for Carda-4,20(22)-dienolide, 14-hydroxy-3,19-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.