A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide
TL;DR: A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide (CAS 5417-22-1) is a chemical compound with molecular formula C24H30O6 and molecular weight 414.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S,5R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Argentinogen, KST-1A5657, (3, A,5, A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide
| Molecular Formula | C24H30O6 |
|---|---|
| Molecular Weight | 414.20 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 414.20422 |
| Heavy Atoms | 30 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 5417-22-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2=C(C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O |
| InChIKey | UJNYXLCWBDUNMH-DONODEJCSA-N |
Product Overview
A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide (CAS 5417-22-1), with molecular formula C24H30O6 and molecular weight 414.20 g/mol. IUPAC: 5-[(3S,5R,10S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide
Property Insights of A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide. Following Lipinski's Rule of Five, A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide has 3 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 A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide?
The CAS number of A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide is 5417-22-1.
What is the molecular formula of A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide?
The molecular formula of A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide is C24H30O6.
What is the molecular weight of A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide?
The molecular weight of A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide is 414.20 g/mol.
Where can I buy A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide?
You can request a quote for A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide?
Yes, KEHONG BIO provides custom synthesis services for A,8xi)-3,11,14-trihydroxy-12-oxobufa-9(11),20,22-trienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.