Arenobufagin
TL;DR: Arenobufagin (CAS 464-74-4) is a chemical compound with molecular formula C24H32O6 and molecular weight 416.21988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3S,5R,10S,11S,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-12-oxo-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Arenobufagin, KST-1A5037, (3, A,5, A,8xi,9xi,11
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H32O6 |
| Molecular Weight | 416.21988 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.21988 Da |
| Heavy Atoms | 30 |
| Complexity | 847.0 |
| SMILES | C[C@]12CC[C@@H](C[C@H]1CCC3C2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O |
| InChIKey | JGDCRWYOMWSTFC-TXBIGYRLSA-N |
Product Description
Applications: Arenobufagin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Arenobufagin (CAS 464-74-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Arenobufagin is a pharmaceutical intermediate identified by CAS number 464-74-4 and the molecular formula C24H32O6 and a molecular weight of 416.22 g/mol. It is also known as Arenobufagin and KST-1A5037.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Arenobufagin
Property Insights of Arenobufagin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arenobufagin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Arenobufagin. Following Lipinski's Rule of Five, Arenobufagin 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
What is the CAS number of Arenobufagin?
The CAS number of Arenobufagin is 464-74-4.
What is the molecular formula of Arenobufagin?
The molecular formula of Arenobufagin is C24H32O6.
What is the molecular weight of Arenobufagin?
The molecular weight of Arenobufagin is 416.21988 g/mol.
What are the applications of Arenobufagin?
Arenobufagin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Arenobufagin (CAS 464-74-4) with custom...
Where can I buy Arenobufagin?
You can request a quote for Arenobufagin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Arenobufagin?
Yes, CoreyChem provides custom synthesis services for Arenobufagin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.