3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one
TL;DR: 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one (CAS 3354-83-4) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-7-methoxychromen-2-one
Also Known As: 3-(1,3-benzodioxol-5-yl)-7-methoxychromen-2-one, 3-benzo[1,3]dioxol-5-yl-7-methoxy-chromen-2-one, 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one, 3-(2H-1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.1973 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 925.9709 |
Chemical Identifiers
| CAS Number | 3354-83-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C=C3)OCO4 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one (CAS 3354-83-4), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-7-methoxychromen-2-one.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one
Property Insights of 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one
The XLogP value of 3.1973 indicates that 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one is 3354-83-4.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one is C17H12O5.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one is 296.07 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-7-methoxy-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.