Ingenol 3,5,20-triacetate
TL;DR: Ingenol 3,5,20-triacetate (CAS 30220-45-2) is a chemical compound with molecular formula C26H34O8 and molecular weight 474.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4S,5R,6R,9S,10R,12R,14R)-4,6-diacetyloxy-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl acetate
Also Known As: Ingenol triacetate, Ingenol-3,5,20-triacetate, Ingenol 3,5,20-triacetate, Ingenol, 3,5,20-triacetate, 3,5,20-TRI-O-ACETYLINGENOL
| Molecular Formula | C26H34O8 |
|---|---|
| Molecular Weight | 474.23 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.22537 |
| Heavy Atoms | 34 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 30220-45-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C)C)O)OC(=O)C)COC(=O)C |
| InChIKey | IMTIXJBINQBHFH-JETAQZOISA-N |
Product Overview
Ingenol 3,5,20-triacetate (CAS 30220-45-2), with molecular formula C26H34O8 and molecular weight 474.23 g/mol. IUPAC: [(1S,4S,5R,6R,9S,10R,12R,14R)-4,6-diacetyloxy-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl acetate.
Chemical Property Profile of Ingenol 3,5,20-triacetate
Property Insights of Ingenol 3,5,20-triacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ingenol 3,5,20-triacetate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ingenol 3,5,20-triacetate. Following Lipinski's Rule of Five, Ingenol 3,5,20-triacetate has 1 hydrogen bond donor(s) and 8 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 Ingenol 3,5,20-triacetate?
The CAS number of Ingenol 3,5,20-triacetate is 30220-45-2.
What is the molecular formula of Ingenol 3,5,20-triacetate?
The molecular formula of Ingenol 3,5,20-triacetate is C26H34O8.
What is the molecular weight of Ingenol 3,5,20-triacetate?
The molecular weight of Ingenol 3,5,20-triacetate is 474.23 g/mol.
Where can I buy Ingenol 3,5,20-triacetate?
You can request a quote for Ingenol 3,5,20-triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ingenol 3,5,20-triacetate?
Yes, KEHONG BIO provides custom synthesis services for Ingenol 3,5,20-triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.