Apigenin triacetate
TL;DR: Apigenin triacetate (CAS 3316-46-9) is a chemical compound with molecular formula C21H16O8 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5,7-diacetyloxy-4-oxochromen-2-yl)phenyl] acetate
Also Known As: Apigenin triacetate, Triacetyl apigenin, APIGENINTRIACETATE, TRIACETYLAPIGENIN, 4',5,7-Triacetoxy flavone
| Molecular Formula | C21H16O8 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.0845 |
| Heavy Atoms | 29 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 3316-46-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C |
| InChIKey | IVXFOQQPPONQTB-UHFFFAOYSA-N |
Product Overview
Apigenin triacetate (CAS 3316-46-9), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: [4-(5,7-diacetyloxy-4-oxochromen-2-yl)phenyl] acetate.
Chemical Property Profile of Apigenin triacetate
Property Insights of Apigenin triacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apigenin triacetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Apigenin triacetate. Following Lipinski's Rule of Five, Apigenin triacetate has 0 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 Apigenin triacetate?
The CAS number of Apigenin triacetate is 3316-46-9.
What is the molecular formula of Apigenin triacetate?
The molecular formula of Apigenin triacetate is C21H16O8.
What is the molecular weight of Apigenin triacetate?
The molecular weight of Apigenin triacetate is 396.08 g/mol.
Where can I buy Apigenin triacetate?
You can request a quote for Apigenin triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apigenin triacetate?
Yes, KEHONG BIO provides custom synthesis services for Apigenin triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.