![3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate structure](/static/products/163/163130-58-3.png)
3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate
TL;DR: 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate (CAS 163130-58-3) is a chemical compound with molecular formula C18H12O6 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-yl)-2-oxochromen-7-yl] acetate
Also Known As: [3-(1,3-benzodioxol-5-yl)-2-oxochromen-7-yl] acetate, 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate, 3-(1,3-benzodioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate, 2h-1-benzopyran-2-one, 7-(acetyloxy)-3-(1,3-benzodioxol-5-yl)
| Molecular Formula | C18H12O6 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 3.114 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.0634 |
| Heavy Atoms | 24 |
| Complexity | 1017.683 |
Chemical Identifiers
| CAS Number | 163130-58-3 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C=C3)OCO4 |
Product Overview
3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate (CAS 163130-58-3), with molecular formula C18H12O6 and molecular weight 324.06 g/mol. IUPAC: [3-(1,3-benzodioxol-5-yl)-2-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate
Property Insights of 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate
The XLogP value of 3.114 indicates that 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate has 0 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-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate?
The CAS number of 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate is 163130-58-3.
What is the molecular formula of 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate?
The molecular formula of 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate is C18H12O6.
What is the molecular weight of 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate?
The molecular weight of 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate is 324.06 g/mol.
Where can I buy 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate?
You can request a quote for 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-2H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.