14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide
TL;DR: 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide (CAS 54603-10-0) is a chemical compound with molecular formula C24H34O7S and molecular weight 466.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,10S,13R,14S,17R)-14-hydroxy-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-3-yl] hydrogen sulfate
Also Known As: Bufalin 3-sulfate, 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide, (8xi,9xi)-14-Hydroxy-3beta-(sulfooxy)bufa-20,22-dienolide, [(3S,10S,13R,14S,17R)-14-hydroxy-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-3-yl] hydrogen sulfate
| Molecular Formula | C24H34O7S |
|---|---|
| Molecular Weight | 466.20 g/mol |
| LogP | 4.069 |
| Topological Polar Surface Area | 114.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.2025 |
| Heavy Atoms | 32 |
| Complexity | 1030.1775 |
Chemical Identifiers
| CAS Number | 54603-10-0 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5[C@@]3(CC[C@@H](C5)OS(=O)(=O)O)C |
Product Overview
14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide (CAS 54603-10-0), with molecular formula C24H34O7S and molecular weight 466.20 g/mol. IUPAC: [(3S,10S,13R,14S,17R)-14-hydroxy-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-3-yl] hydrogen sulfate.
Chemical Property Profile of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide
Property Insights of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide
The XLogP value of 4.069 indicates that 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide. Following Lipinski's Rule of Five, 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide 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 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide?
The CAS number of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide is 54603-10-0.
What is the molecular formula of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide?
The molecular formula of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide is C24H34O7S.
What is the molecular weight of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide?
The molecular weight of 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide is 466.20 g/mol.
Where can I buy 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide?
You can request a quote for 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxy-3-(sulfooxy)bufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.