ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate
TL;DR: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate (CAS 162665-06-7) is a chemical compound with molecular formula C22H20O7 and molecular weight 396.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxochromene-2-carboxylate
Also Known As: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxochromene-2-carboxylate, ethyl 3-(benzo[d][1,3]dioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-6-ethyl-7-methoxy-4-oxochromene-2-c arboxylate
| Molecular Formula | C22H20O7 |
|---|---|
| Molecular Weight | 396.12 g/mol |
| LogP | 3.9364 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1209 |
| Heavy Atoms | 29 |
| Complexity | 1160.015 |
Chemical Identifiers
| CAS Number | 162665-06-7 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC)OC(=C(C2=O)C3=CC4=C(C=C3)OCO4)C(=O)OCC |
Product Overview
ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate (CAS 162665-06-7), with molecular formula C22H20O7 and molecular weight 396.12 g/mol. IUPAC: ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate
Property Insights of ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 3.9364 indicates that ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate has 0 hydrogen bond donor(s) and 7 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 ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate?
The CAS number of ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate is 162665-06-7.
What is the molecular formula of ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate is C22H20O7.
What is the molecular weight of ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate is 396.12 g/mol.
Where can I buy ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-methoxy-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.