3-(Glycyloxy)-14-hydroxycard-20(22)-enolide
TL;DR: 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide (CAS 42716-79-0) is a chemical compound with molecular formula C25H37NO5 and molecular weight 431.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-aminoacetate
Also Known As: Digitoxigenin 3-(aminoacetate), Digitoxigenin-3-beta-L-glycyl ester, 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide, 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with glycine, 3beta-(Glycyloxy)-14-hydroxy-5beta-card-20(22)-enolide
| Molecular Formula | C25H37NO5 |
|---|---|
| Molecular Weight | 431.27 g/mol |
| LogP | 3.1139 |
| Topological Polar Surface Area | 98.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.26718 |
| Heavy Atoms | 31 |
| Complexity | 809.7341 |
Chemical Identifiers
| CAS Number | 42716-79-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC(=O)CN |
Product Overview
3-(Glycyloxy)-14-hydroxycard-20(22)-enolide (CAS 42716-79-0), with molecular formula C25H37NO5 and molecular weight 431.27 g/mol. IUPAC: [(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-aminoacetate.
Chemical Property Profile of 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide
Property Insights of 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide
The XLogP value of 3.1139 indicates that 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide. Following Lipinski's Rule of Five, 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide has 2 hydrogen bond donor(s) and 6 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 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide?
The CAS number of 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide is 42716-79-0.
What is the molecular formula of 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide?
The molecular formula of 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide is C25H37NO5.
What is the molecular weight of 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide?
The molecular weight of 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide is 431.27 g/mol.
Where can I buy 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide?
You can request a quote for 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Glycyloxy)-14-hydroxycard-20(22)-enolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.