5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate
TL;DR: 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate (CAS 4026-96-4) is a chemical compound with molecular formula C26H34O6 and molecular weight 442.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-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: 3-(Acetyloxy)-16-hydroxy-14,15-epoxybufa-20,22-dienolide, 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,16.beta.-dihydroxy-, 3-acetate, Bufa-20,22-dienolide, 3-(acetyloxy)-14,15-epoxy-16-hydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-, 5.beta.-Bufa-20, 14,15.beta.-epoxy-3.beta.,16.beta.-dihydroxy-, 3-acetate, 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate
| Molecular Formula | C26H34O6 |
|---|---|
| Molecular Weight | 442.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.23553 |
| Heavy Atoms | 32 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 4026-96-4 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)C(C4C6=COC(=O)C=C6)O)C)C |
| InChIKey | VHZDDRQWQKLKSL-UHFFFAOYSA-N |
Product Overview
5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate (CAS 4026-96-4), with molecular formula C26H34O6 and molecular weight 442.24 g/mol. IUPAC: [5-hydroxy-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 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate
Property Insights of 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate
The XLogP value of 3.3 indicates that 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate. Following Lipinski's Rule of Five, 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate has 1 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 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate?
The CAS number of 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate is 4026-96-4.
What is the molecular formula of 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate?
The molecular formula of 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate is C26H34O6.
What is the molecular weight of 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate?
The molecular weight of 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate is 442.24 g/mol.
Where can I buy 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate?
You can request a quote for 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta-dihydroxy-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.