5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-
TL;DR: 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- (CAS 3810-94-4) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,4,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12-dione
Also Known As: Digoxigenone, 3,12-Digoxigendione, (5-beta)-14-Hydroxy-3,12-dioxocard-20(22)-enolide, 14-Hydroxy-3,12-dioxocard-20(22)-enolide, 5-beta-CARD-20(22)-ENOLIDE, 3,12-DIOXO-14-HYDROXY-
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 3810-94-4 |
|---|---|
| SMILES | C[C@]12CCC(=O)C[C@H]1CCC3C2CC(=O)[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C |
| InChIKey | SHRGTLYZJIVTMQ-HAXYUZPQSA-N |
Product Overview
5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- (CAS 3810-94-4), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: (5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,4,5,6,7,8,9,11,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12-dione.
Chemical Property Profile of 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-
Property Insights of 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-. Following Lipinski's Rule of Five, 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- 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 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-?
The CAS number of 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- is 3810-94-4.
What is the molecular formula of 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-?
The molecular formula of 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- is C23H30O5.
What is the molecular weight of 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-?
The molecular weight of 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- is 386.21 g/mol.
Where can I buy 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-?
You can request a quote for 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 5-beta-Card-20(22)-enolide, 3,12-dioxo-14-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.