Acetyldiphyllin
TL;DR: Acetyldiphyllin (CAS 25001-54-1) is a chemical compound with molecular formula C23H18O8 and molecular weight 422.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl] acetate
Also Known As: Acetyldiphyllin, J1.917.304F, [9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl] acetate, [9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f]isobenzofuran-4-yl] acetate, 4-Acetoxy-6,7-dimethoxy-9-(1,3-benzodioxole-5-yl)-1,3-dihydronaphtho[2,3-c]furan-1-one
| Molecular Formula | C23H18O8 |
|---|---|
| Molecular Weight | 422.10 g/mol |
| LogP | 3.8484 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.10016 |
| Heavy Atoms | 31 |
| Complexity | 1260.6466 |
Chemical Identifiers
| CAS Number | 25001-54-1 |
|---|---|
| SMILES | CC(=O)OC1=C2COC(=O)C2=C(C3=CC(=C(C=C31)OC)OC)C4=CC5=C(C=C4)OCO5 |
Product Overview
Acetyldiphyllin (CAS 25001-54-1), with molecular formula C23H18O8 and molecular weight 422.10 g/mol. IUPAC: [9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl] acetate.
Chemical Property Profile of Acetyldiphyllin
Property Insights of Acetyldiphyllin
The XLogP value of 3.8484 indicates that Acetyldiphyllin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyldiphyllin. Following Lipinski's Rule of Five, Acetyldiphyllin 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 Acetyldiphyllin?
The CAS number of Acetyldiphyllin is 25001-54-1.
What is the molecular formula of Acetyldiphyllin?
The molecular formula of Acetyldiphyllin is C23H18O8.
What is the molecular weight of Acetyldiphyllin?
The molecular weight of Acetyldiphyllin is 422.10 g/mol.
Where can I buy Acetyldiphyllin?
You can request a quote for Acetyldiphyllin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyldiphyllin?
Yes, KEHONG BIO provides custom synthesis services for Acetyldiphyllin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.