3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide
TL;DR: 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide (CAS 6869-66-5) is a chemical compound with molecular formula C26H32O6 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7,11-dimethyl-14-oxo-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Also Known As: Cinobufagone, 3-Oxocinobufagin, 3-Oxo-16-acetoxy-14,15-epoxy-5-bufa-20,22-dienolide, 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide, 3-Oxo-16
| Molecular Formula | C26H32O6 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.21988 |
| Heavy Atoms | 32 |
| Complexity | 965.0 |
Chemical Identifiers
| CAS Number | 6869-66-5 |
|---|---|
| SMILES | CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(=O)C5)C)C)C6=COC(=O)C=C6 |
| InChIKey | AOBHQOYFBDNLMA-UHFFFAOYSA-N |
Product Overview
3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide (CAS 6869-66-5), with molecular formula C26H32O6 and molecular weight 440.22 g/mol. IUPAC: [7,11-dimethyl-14-oxo-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate.
Chemical Property Profile of 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide
Property Insights of 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide. Following Lipinski's Rule of Five, 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide has 0 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-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide?
The CAS number of 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide is 6869-66-5.
What is the molecular formula of 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide?
The molecular formula of 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide is C26H32O6.
What is the molecular weight of 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide?
The molecular weight of 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide is 440.22 g/mol.
Where can I buy 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide?
You can request a quote for 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-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-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-16beta-acetoxy-14,15beta-epoxy-5beta-bufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.