沙蟾毒精
TL;DR: 沙蟾毒精 (CAS 464-74-4) is a chemical compound with molecular formula C24H32O6 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
沙蟾毒精
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
| Molecular Formula | C24H32O6 |
|---|---|
| Molecular Weight | 416.22 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 | 416.21988 |
| Heavy Atoms | 30 |
| Complexity | 847.0 |
Chemical Identifiers
| CAS Number | 464-74-4 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
沙蟾毒精 (CAS 464-74-4), with molecular formula C24H32O6 and molecular weight 416.22 g/mol. IUPAC: 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.
Chemical Property Profile of 沙蟾毒精
Property Insights of 沙蟾毒精
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 沙蟾毒精. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 沙蟾毒精. Following Lipinski's Rule of Five, 沙蟾毒精 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 沙蟾毒精?
The CAS number of 沙蟾毒精 is 464-74-4.
What is the molecular formula of 沙蟾毒精?
The molecular formula of 沙蟾毒精 is C24H32O6.
What is the molecular weight of 沙蟾毒精?
The molecular weight of 沙蟾毒精 is 416.22 g/mol.
Where can I buy 沙蟾毒精?
You can request a quote for 沙蟾毒精 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 沙蟾毒精?
Yes, KEHONG BIO provides custom synthesis services for 沙蟾毒精 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.