3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide
TL;DR: 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide (CAS 40527-43-3) is a chemical compound with molecular formula C26H34O5 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate
Also Known As: Acetylresibufogenin, Resibufogenin acetate (6CI), 3-(acetyloxy)-14,15-epoxybufa-20,22-dienolide, NCI60_000797, 5-beta-BUFA-20,22-DIENOLIDE, 14,15-beta-EPOXY-3-beta-HYDROXY-, ACETATE
| Molecular Formula | C26H34O5 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.24063 |
| Heavy Atoms | 31 |
| Complexity | 890.0 |
Chemical Identifiers
| CAS Number | 40527-43-3 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)C |
| InChIKey | PYQLJWZNYPKLBI-UHFFFAOYSA-N |
Product Overview
3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide (CAS 40527-43-3), with molecular formula C26H34O5 and molecular weight 426.24 g/mol. IUPAC: [7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] acetate.
Chemical Property Profile of 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide
Property Insights of 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide
The XLogP value of 4.3 indicates that 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide. Following Lipinski's Rule of Five, 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide has 0 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-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide?
The CAS number of 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide is 40527-43-3.
What is the molecular formula of 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide?
The molecular formula of 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide is C26H34O5.
What is the molecular weight of 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide?
The molecular weight of 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide is 426.24 g/mol.
Where can I buy 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide?
You can request a quote for 3-(Acetyloxy)-14,15-epoxybufa-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-epoxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.