3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide
TL;DR: 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide (CAS 4534-19-4) 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.
[14,15-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-3-yl] acetate
Also Known As: 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide, [14,15-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-3-yl] acetate
| Molecular Formula | C26H36O6 |
|---|---|
| Molecular Weight | 444.25 g/mol |
| LogP | 3.3 |
| 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 | 4534-19-4 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(C(CC4C5=COC(=O)C=C5)O)O)C)C |
| InChIKey | XFPUHZSRQDIMPV-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide (CAS 4534-19-4), with molecular formula C26H36O6 and molecular weight 444.25 g/mol. IUPAC: [14,15-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-3-yl] acetate.
Chemical Property Profile of 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide
Property Insights of 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide
The XLogP value of 3.3 indicates that 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide. Following Lipinski's Rule of Five, 3-(Acetyloxy)-14,15-dihydroxybufa-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 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide?
The CAS number of 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide is 4534-19-4.
What is the molecular formula of 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide?
The molecular formula of 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide is C26H36O6.
What is the molecular weight of 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide?
The molecular weight of 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide is 444.25 g/mol.
Where can I buy 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide?
You can request a quote for 3-(Acetyloxy)-14,15-dihydroxybufa-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-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-14,15-dihydroxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.