Digitoxigenin-3-beta-(morphilinyl)acetate
TL;DR: Digitoxigenin-3-beta-(morphilinyl)acetate (CAS 42716-83-6) is a chemical compound with molecular formula C29H43NO6 and molecular weight 501.31 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-morpholin-4-ylacetate
Also Known As: Digitoxigenin-3-beta-(morphilinyl)acetate, 4-Morpholineacetic acid, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide, 14-Hydroxy-3-{[(morpholin-4-yl)acetyl]oxy}card-20(22)-enolide, 14-Hydroxy-3beta-{[(morpholin-4-yl)acetyl]oxy}-5beta-card-20(22)-enolide, [(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-morpholin-4-ylacetate
| Molecular Formula | C29H43NO6 |
|---|---|
| Molecular Weight | 501.31 g/mol |
| LogP | 3.4874 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.30905 |
| Heavy Atoms | 36 |
| Complexity | 928.72516 |
Chemical Identifiers
| CAS Number | 42716-83-6 |
|---|---|
| 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)CN6CCOCC6 |
Product Overview
Digitoxigenin-3-beta-(morphilinyl)acetate (CAS 42716-83-6), with molecular formula C29H43NO6 and molecular weight 501.31 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-morpholin-4-ylacetate.
Chemical Property Profile of Digitoxigenin-3-beta-(morphilinyl)acetate
Property Insights of Digitoxigenin-3-beta-(morphilinyl)acetate
The XLogP value of 3.4874 indicates that Digitoxigenin-3-beta-(morphilinyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Digitoxigenin-3-beta-(morphilinyl)acetate. Following Lipinski's Rule of Five, Digitoxigenin-3-beta-(morphilinyl)acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digitoxigenin-3-beta-(morphilinyl)acetate?
The CAS number of Digitoxigenin-3-beta-(morphilinyl)acetate is 42716-83-6.
What is the molecular formula of Digitoxigenin-3-beta-(morphilinyl)acetate?
The molecular formula of Digitoxigenin-3-beta-(morphilinyl)acetate is C29H43NO6.
What is the molecular weight of Digitoxigenin-3-beta-(morphilinyl)acetate?
The molecular weight of Digitoxigenin-3-beta-(morphilinyl)acetate is 501.31 g/mol.
Where can I buy Digitoxigenin-3-beta-(morphilinyl)acetate?
You can request a quote for Digitoxigenin-3-beta-(morphilinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxigenin-3-beta-(morphilinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Digitoxigenin-3-beta-(morphilinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.