Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-
TL;DR: Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- (CAS 465-11-2) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
Also Known As: Gamabufotalin, Gamabufagin, Gamabufogenin, Gammabufotalin, Neritaloside
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 465-11-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O |
| InChIKey | FMTLOAVOGWSPEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- (CAS 465-11-2), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: 5-(3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one.
Chemical Property Profile of Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-
Property Insights of Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-. Following Lipinski's Rule of Five, Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- has 3 hydrogen bond donor(s) and 5 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 Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-?
The CAS number of Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- is 465-11-2.
What is the molecular formula of Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-?
The molecular formula of Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- is C24H34O5.
What is the molecular weight of Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-?
The molecular weight of Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- is 402.24 g/mol.
Where can I buy Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-?
You can request a quote for Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.