3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide
TL;DR: 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide (CAS 4099-30-3) is a chemical compound with molecular formula C24H32O6 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2S,4R,5R,6R,7R,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one
Also Known As: Desacetylcinobufotalin, De-O-acetylcinobufotalin, 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide, 5-beta-BUFA-20,22-DIENOLIDE, 14,15-beta-EPOXY-3-beta,5,16-beta-TRIHYDROXY-, Bufa-20,22-dienolide, 14,15-epoxy-3,5,16-trihydroxy-, (3-beta,5-beta,15-beta,16-beta)-
| Molecular Formula | C24H32O6 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.21988 |
| Heavy Atoms | 30 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 4099-30-3 |
|---|---|
| SMILES | C[C@]12CCC3C([C@@]14[C@H](O4)[C@@H]([C@@H]2C5=COC(=O)C=C5)O)CC[C@]6([C@@]3(CC[C@@H](C6)O)C)O |
| InChIKey | FRYICJTUIXEEGK-VGKSGQJVSA-N |
Product Overview
3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide (CAS 4099-30-3), with molecular formula C24H32O6 and molecular weight 416.22 g/mol. IUPAC: 5-[(2S,4R,5R,6R,7R,11R,14S,16S)-5,14,16-trihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one.
Chemical Property Profile of 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide
Property Insights of 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide. Following Lipinski's Rule of Five, 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide has 3 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 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide?
The CAS number of 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide is 4099-30-3.
What is the molecular formula of 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide?
The molecular formula of 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide is C24H32O6.
What is the molecular weight of 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide?
The molecular weight of 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide is 416.22 g/mol.
Where can I buy 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide?
You can request a quote for 3,5,16-Trihydroxy-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 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,16-Trihydroxy-14,15-epoxybufa-20,22-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.