![7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one structure](/static/products/610/610761-63-2.png)
7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one
TL;DR: 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one (CAS 610761-63-2) is a chemical compound with molecular formula C27H23ClO5 and molecular weight 462.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethylchromen-4-one
Also Known As: 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one, 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chlorophenyl)methoxy]-6-ethylchro men-4-one, 7-((2-chlorobenzyl)oxy)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-ethyl-4H-chromen-4-one, 7-[(2-chlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethylchromen-4-one
| Molecular Formula | C27H23ClO5 |
|---|---|
| Molecular Weight | 462.12 g/mol |
| LogP | 6.4161 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1234 |
| Heavy Atoms | 33 |
| Complexity | 1375.0507 |
Chemical Identifiers
| CAS Number | 610761-63-2 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OCC3=CC=CC=C3Cl)OC=C(C2=O)C4=CC5=C(C=C4)OCCCO5 |
Product Overview
7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one (CAS 610761-63-2), with molecular formula C27H23ClO5 and molecular weight 462.12 g/mol. IUPAC: 7-[(2-chlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethylchromen-4-one.
Chemical Property Profile of 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one
Property Insights of 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one
The XLogP value of 6.4161 indicates that 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-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, 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-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 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one?
The CAS number of 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one is 610761-63-2.
What is the molecular formula of 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one?
The molecular formula of 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one is C27H23ClO5.
What is the molecular weight of 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one?
The molecular weight of 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one is 462.12 g/mol.
Where can I buy 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one?
You can request a quote for 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-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 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chlorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.