![3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one structure](/static/products/585/585560-91-4.png)
3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one
TL;DR: 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one (CAS 585560-91-4) is a chemical compound with molecular formula C28H25FO5 and molecular weight 460.17 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-7-[(4-fluorophenyl)methoxy]-2-methylchromen-4-one
Also Known As: 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorobenzyl)oxy]-2-methyl-4H-chromen-4-one, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-methylchromen-4-one, 3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-ethyl-7-((4-fluorobenzyl)oxy)-2-methyl-4H-chromen-4-one
| Molecular Formula | C28H25FO5 |
|---|---|
| Molecular Weight | 460.17 g/mol |
| LogP | 6.21022 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.1686 |
| Heavy Atoms | 34 |
| Complexity | 1405.4856 |
Chemical Identifiers
| CAS Number | 585560-91-4 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OCC3=CC=C(C=C3)F)OC(=C(C2=O)C4=CC5=C(C=C4)OCCCO5)C |
Product Overview
3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one (CAS 585560-91-4), with molecular formula C28H25FO5 and molecular weight 460.17 g/mol. IUPAC: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-methylchromen-4-one.
Chemical Property Profile of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one
Property Insights of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one
The XLogP value of 6.21022 indicates that 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-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-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one?
The CAS number of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one is 585560-91-4.
What is the molecular formula of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one?
The molecular formula of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one is C28H25FO5.
What is the molecular weight of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one?
The molecular weight of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one is 460.17 g/mol.
Where can I buy 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one?
You can request a quote for 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-6-ethyl-7-[(4-fluorophenyl)methoxy]-2-m ethylchromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.