3,14,19-Trihydroxybufa-4,20,22-trienolide
TL;DR: 3,14,19-Trihydroxybufa-4,20,22-trienolide (CAS 26577-92-4) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Scilliglaucosidol, Scilliglaucosidin-19-ol, Scilliglaucosidin-19-ol [German], 3,14,19-Trihydroxybufa-4,20,22-trienolide, 3-beta,14,19-Trihydroxybufa-4,20,22-trienolide
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 26577-92-4 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=CC(CC[C@]35CO)O |
| InChIKey | NHQODPJHNATUTE-SBFMHBBOSA-N |
Product Overview
3,14,19-Trihydroxybufa-4,20,22-trienolide (CAS 26577-92-4), with molecular formula C24H32O5 and molecular weight 400.22 g/mol. IUPAC: 5-[(10S,13R,14S,17R)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of 3,14,19-Trihydroxybufa-4,20,22-trienolide
Property Insights of 3,14,19-Trihydroxybufa-4,20,22-trienolide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14,19-Trihydroxybufa-4,20,22-trienolide. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14,19-Trihydroxybufa-4,20,22-trienolide. Following Lipinski's Rule of Five, 3,14,19-Trihydroxybufa-4,20,22-trienolide 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 3,14,19-Trihydroxybufa-4,20,22-trienolide?
The CAS number of 3,14,19-Trihydroxybufa-4,20,22-trienolide is 26577-92-4.
What is the molecular formula of 3,14,19-Trihydroxybufa-4,20,22-trienolide?
The molecular formula of 3,14,19-Trihydroxybufa-4,20,22-trienolide is C24H32O5.
What is the molecular weight of 3,14,19-Trihydroxybufa-4,20,22-trienolide?
The molecular weight of 3,14,19-Trihydroxybufa-4,20,22-trienolide is 400.22 g/mol.
Where can I buy 3,14,19-Trihydroxybufa-4,20,22-trienolide?
You can request a quote for 3,14,19-Trihydroxybufa-4,20,22-trienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14,19-Trihydroxybufa-4,20,22-trienolide?
Yes, KEHONG BIO provides custom synthesis services for 3,14,19-Trihydroxybufa-4,20,22-trienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.