3,5,14,19-Tetrahydroxybufa-20,22-dienolide
TL;DR: 3,5,14,19-Tetrahydroxybufa-20,22-dienolide (CAS 508-79-2) is a chemical compound with molecular formula C24H34O6 and molecular weight 418.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
Also Known As: Hellebrigenol, 3,5,14,19-Tetrahydroxybufa-20,22-dienolide, 5-[3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one, 5-[3a,5a,7-trihydroxy-9a-(hydroxymethyl)-11a-methyl-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl]pyran-2-one
| Molecular Formula | C24H34O6 |
|---|---|
| Molecular Weight | 418.24 g/mol |
| LogP | 2.3292 |
| Topological Polar Surface Area | 111.13 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.23553 |
| Heavy Atoms | 30 |
| Complexity | 862.19714 |
Chemical Identifiers
| CAS Number | 508-79-2 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC(C5)O)CO)O |
Product Overview
3,5,14,19-Tetrahydroxybufa-20,22-dienolide (CAS 508-79-2), with molecular formula C24H34O6 and molecular weight 418.24 g/mol. IUPAC: 5-[3,5,14-trihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one.
Chemical Property Profile of 3,5,14,19-Tetrahydroxybufa-20,22-dienolide
Property Insights of 3,5,14,19-Tetrahydroxybufa-20,22-dienolide
The XLogP value of 2.3292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,14,19-Tetrahydroxybufa-20,22-dienolide. The TPSA of 111.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,14,19-Tetrahydroxybufa-20,22-dienolide. Following Lipinski's Rule of Five, 3,5,14,19-Tetrahydroxybufa-20,22-dienolide has 4 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 3,5,14,19-Tetrahydroxybufa-20,22-dienolide?
The CAS number of 3,5,14,19-Tetrahydroxybufa-20,22-dienolide is 508-79-2.
What is the molecular formula of 3,5,14,19-Tetrahydroxybufa-20,22-dienolide?
The molecular formula of 3,5,14,19-Tetrahydroxybufa-20,22-dienolide is C24H34O6.
What is the molecular weight of 3,5,14,19-Tetrahydroxybufa-20,22-dienolide?
The molecular weight of 3,5,14,19-Tetrahydroxybufa-20,22-dienolide is 418.24 g/mol.
Where can I buy 3,5,14,19-Tetrahydroxybufa-20,22-dienolide?
You can request a quote for 3,5,14,19-Tetrahydroxybufa-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 3,5,14,19-Tetrahydroxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,14,19-Tetrahydroxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.