2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one
TL;DR: 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one (CAS 63046-13-9) is a chemical compound with molecular formula C16H10O5 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-6-hydroxychromen-4-one
Also Known As: 2-(1,3-benzodioxol-5-yl)-6-hydroxychromen-4-one, 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one, 2-(2H-1,3-BENZODIOXOL-5-YL)-6-HYDROXYCHROMEN-4-ONE, 2-(benzo[d][1,3]dioxol-5-yl)-6-hydroxy-4H-chromen-4-one
| Molecular Formula | C16H10O5 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 2.8943 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.05283 |
| Heavy Atoms | 21 |
| Complexity | 910.1747 |
Chemical Identifiers
| CAS Number | 63046-13-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=C(O3)C=CC(=C4)O |
Product Overview
2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one (CAS 63046-13-9), with molecular formula C16H10O5 and molecular weight 282.05 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-6-hydroxychromen-4-one.
Chemical Property Profile of 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one
Property Insights of 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one
The XLogP value of 2.8943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one. Following Lipinski's Rule of Five, 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one has 1 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 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one?
The CAS number of 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one is 63046-13-9.
What is the molecular formula of 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one?
The molecular formula of 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one is C16H10O5.
What is the molecular weight of 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one?
The molecular weight of 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one is 282.05 g/mol.
Where can I buy 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one?
You can request a quote for 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzodioxol-5-yl)-6-hydroxy-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.