5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)
TL;DR: 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) (CAS 42716-84-7) is a chemical compound with molecular formula C27H39NO6 and molecular weight 473.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,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-acetamidoacetate
Also Known As: Digitoxigenin 3-acetylaminoacetate, Digitoxigenin-3-beta-N-acetylglycyl ester, 3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with N-acetylglycine, 5-beta-CARD-20(22)-ENOLIDE, 3-beta,14-DIHYDROXY-, 3-(ACETAMIDOACETATE) (ester), [(3S,5R,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-acetamidoacetate
| Molecular Formula | C27H39NO6 |
|---|---|
| Molecular Weight | 473.28 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.27774 |
| Heavy Atoms | 34 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 42716-84-7 |
|---|---|
| SMILES | CC(=O)NCC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)C |
| InChIKey | KQQSYNFZOHWYHT-VHNHFDOCSA-N |
Product Overview
5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) (CAS 42716-84-7), with molecular formula C27H39NO6 and molecular weight 473.28 g/mol. IUPAC: [(3S,5R,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-acetamidoacetate.
Chemical Property Profile of 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)
Property Insights of 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester). The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester). Following Lipinski's Rule of Five, 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) 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 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)?
The CAS number of 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) is 42716-84-7.
What is the molecular formula of 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)?
The molecular formula of 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) is C27H39NO6.
What is the molecular weight of 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)?
The molecular weight of 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) is 473.28 g/mol.
Where can I buy 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)?
You can request a quote for 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) 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-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester)?
Yes, KEHONG BIO provides custom synthesis services for 5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(acetamidoacetate) (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.