Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-
TL;DR: Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- (CAS 97817-83-9) is a chemical compound with molecular formula C42H56BrNO10 and molecular weight 813.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S)-8-[2-[[(3S,5S,8R,9S,10S,13R,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxooxolan-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-, (14xi,20xi)-5,14-Dihydroxy-3beta-[({(1S)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium-8-yl}acetyl)oxy]-19-oxo-5beta,17alpha-card-15-enolide bromide, [(5S)-8-[2-[[(3S,5S,8R,9S,10S,13R,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxooxolan-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide, 5,14-Dihydroxy-3-[({3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium-8-yl}acetyl)oxy]-19-oxocard-15-enolide bromide
| Molecular Formula | C42H56BrNO10 |
|---|---|
| Molecular Weight | 813.31 g/mol |
| LogP | 0.7683 |
| Topological Polar Surface Area | 156.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 813.3088 |
| Heavy Atoms | 54 |
| Complexity | 1641.932 |
Chemical Identifiers
| CAS Number | 97817-83-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1(C=C[C@H]2C4CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C[N+]6([C@H]7CCC6CC(C7)OC(=O)C(CO)C8=CC=CC=C8)C)C=O)O.[Br-] |
Product Overview
Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- (CAS 97817-83-9), with molecular formula C42H56BrNO10 and molecular weight 813.31 g/mol. IUPAC: [(5S)-8-[2-[[(3S,5S,8R,9S,10S,13R,17S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxooxolan-3-yl)-2,3,4,6,7,8,9,11,12,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-
Property Insights of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-
The XLogP value of 0.7683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-. The TPSA of 156.66 Ų indicates high polarity, suggesting Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-?
The CAS number of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- is 97817-83-9.
What is the molecular formula of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-?
The molecular formula of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- is C42H56BrNO10.
What is the molecular weight of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-?
The molecular weight of Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- is 813.31 g/mol.
Where can I buy Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-?
You can request a quote for Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)-?
Yes, KEHONG BIO provides custom synthesis services for Card-20(22)-enolide, 5,14-dihydroxy-3-(((3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-azoniabicyclo(3.2.1)oct-8-yl)acetyl)oxy)-19-oxo-, bromide, (3-beta,(1-alpha,3-beta(S), 5-alpha),5-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.