蟾毒他灵
TL;DR: 蟾毒他灵 (CAS 471-95-4) is a chemical compound with molecular formula C26H36O6 and molecular weight 444.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蟾毒他灵
[(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Bufotaline, Bufotalin, KST-1A5105, 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide, (3
| Molecular Formula | C26H36O6 |
|---|---|
| Molecular Weight | 444.25 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.2512 |
| Heavy Atoms | 32 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 471-95-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@]2(C3CC[C@@H]4C[C@H](CC[C@@]4(C3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O |
| InChIKey | VOZHMAYHYHEWBW-JNUCAMJOSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
蟾毒他灵 (CAS 471-95-4), with molecular formula C26H36O6 and molecular weight 444.25 g/mol. IUPAC: [(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate.
Chemical Property Profile of 蟾毒他灵
Property Insights of 蟾毒他灵
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蟾毒他灵. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 蟾毒他灵. Following Lipinski's Rule of Five, 蟾毒他灵 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 蟾毒他灵?
The CAS number of 蟾毒他灵 is 471-95-4.
What is the molecular formula of 蟾毒他灵?
The molecular formula of 蟾毒他灵 is C26H36O6.
What is the molecular weight of 蟾毒他灵?
The molecular weight of 蟾毒他灵 is 444.25 g/mol.
Where can I buy 蟾毒他灵?
You can request a quote for 蟾毒他灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蟾毒他灵?
Yes, KEHONG BIO provides custom synthesis services for 蟾毒他灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.