ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
TL;DR: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate (CAS 162665-03-4) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxochromene-2 -carboxylate, ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate, ethyl 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 4.066 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 1176.3657 |
Chemical Identifiers
| CAS Number | 162665-03-4 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1O)OC(=C(C2=O)C3=CC4=C(C=C3)OCCCO4)C(=O)OCC |
Product Overview
ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate (CAS 162665-03-4), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
Property Insights of ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 4.066 indicates that ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate has 1 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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The CAS number of ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is 162665-03-4.
What is the molecular formula of ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is C23H22O7.
What is the molecular weight of ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is 410.14 g/mol.
Where can I buy ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.