3,12-Dihydroxycard-20(22)-enolide
TL;DR: 3,12-Dihydroxycard-20(22)-enolide (CAS 119181-60-1) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.2457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: 14-Deoxydigoxigenin, Digoxigenin, 14-deoxy-, 3,12-Dihydroxycard-20(22)-enolide, Card-20(22)-enolide, 3,12-dihydroxy-, (3-beta,5-beta,12-beta)-, 3beta,12beta-Dihydroxy-5beta,14alpha-card-20(22)-enolide
Technical Specifications
| Molecular Formula | C23H34O4 |
| Molecular Weight | 374.2457 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.2457 Da |
| Heavy Atoms | 27 |
| Complexity | 671.0 |
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@H]3CC[C@@H]4C5=CC(=O)OC5)C)O)O |
| InChIKey | SFLUOWHWUKEJIC-BEHLGQDMSA-N |
Chemical Property Profile of 3,12-Dihydroxycard-20(22)-enolide
Property Insights of 3,12-Dihydroxycard-20(22)-enolide
The XLogP value of 3.6 indicates that 3,12-Dihydroxycard-20(22)-enolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,12-Dihydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3,12-Dihydroxycard-20(22)-enolide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,12-Dihydroxycard-20(22)-enolide?
The CAS number of 3,12-Dihydroxycard-20(22)-enolide is 119181-60-1.
What is the molecular formula of 3,12-Dihydroxycard-20(22)-enolide?
The molecular formula of 3,12-Dihydroxycard-20(22)-enolide is C23H34O4.
What is the molecular weight of 3,12-Dihydroxycard-20(22)-enolide?
The molecular weight of 3,12-Dihydroxycard-20(22)-enolide is 374.2457 g/mol.
Where can I buy 3,12-Dihydroxycard-20(22)-enolide?
You can request a quote for 3,12-Dihydroxycard-20(22)-enolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,12-Dihydroxycard-20(22)-enolide?
Yes, CoreyChem provides custom synthesis services for 3,12-Dihydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.