16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide
TL;DR: 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS 6691-83-4) is a chemical compound with molecular formula C26H34O7 and molecular weight 458.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[14-hydroxy-11-(hydroxymethyl)-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Also Known As: Cinobufaginol, 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide, 14-hydroxy-11-(hydroxymethyl)-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.0(2),?.0(2),?.0(1)(1),(1)?]octadecan-5-yl acetate
| Molecular Formula | C26H34O7 |
|---|---|
| Molecular Weight | 458.23 g/mol |
| LogP | 2.7723 |
| Topological Polar Surface Area | 109.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.23044 |
| Heavy Atoms | 33 |
| Complexity | 999.6428 |
Chemical Identifiers
| CAS Number | 6691-83-4 |
|---|---|
| SMILES | CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)CO)C)C6=COC(=O)C=C6 |
Product Overview
16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS 6691-83-4), with molecular formula C26H34O7 and molecular weight 458.23 g/mol. IUPAC: [14-hydroxy-11-(hydroxymethyl)-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate.
Chemical Property Profile of 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide
Property Insights of 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide
The XLogP value of 2.7723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide. The TPSA of 109.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide. Following Lipinski's Rule of Five, 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide has 2 hydrogen bond donor(s) and 7 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 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide?
The CAS number of 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide is 6691-83-4.
What is the molecular formula of 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide?
The molecular formula of 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide is C26H34O7.
What is the molecular weight of 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide?
The molecular weight of 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide is 458.23 g/mol.
Where can I buy 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide?
You can request a quote for 16-(Acetyloxy)-3,19-dihydroxy-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 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 16-(Acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.