3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate
TL;DR: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate (CAS 618389-07-4) is a chemical compound with molecular formula C29H26O8 and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate
Also Known As: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate, 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-4-oxochromen-7-yl 3,4-dimethoxy benzoate, [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate, 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate
| Molecular Formula | C29H26O8 |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | 5.4201 |
| Topological Polar Surface Area | 93.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.16278 |
| Heavy Atoms | 37 |
| Complexity | 1535.4556 |
Chemical Identifiers
| CAS Number | 618389-07-4 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C3=CC(=C(C=C3)OC)OC)OC=C(C2=O)C4=CC5=C(C=C4)OCCCO5 |
Product Overview
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate (CAS 618389-07-4), with molecular formula C29H26O8 and molecular weight 502.16 g/mol. IUPAC: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate
Property Insights of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate
The XLogP value of 5.4201 indicates that 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate?
The CAS number of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate is 618389-07-4.
What is the molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate?
The molecular formula of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate is C29H26O8.
What is the molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate?
The molecular weight of 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate is 502.16 g/mol.
Where can I buy 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate?
You can request a quote for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.