![3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one structure](/static/products/578/578701-08-3.png)
3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one
TL;DR: 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one (CAS 578701-08-3) is a chemical compound with molecular formula C29H26ClFO5 and molecular weight 508.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propylchromen-4-one
Also Known As: 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one, 7-((2-chloro-6-fluorobenzyl)oxy)-3-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2-methyl-6-propyl-4H-chromen-4-one, 7-[(2-chloro-6-fluorobenzyl)oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propyl-4H-chromen-4-one, 7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propylchromen-4-one
| Molecular Formula | C29H26ClFO5 |
|---|---|
| Molecular Weight | 508.15 g/mol |
| LogP | 7.25372 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.1453 |
| Heavy Atoms | 36 |
| Complexity | 1473.508 |
Chemical Identifiers
| CAS Number | 578701-08-3 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1OCC3=C(C=CC=C3Cl)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)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one (CAS 578701-08-3), with molecular formula C29H26ClFO5 and molecular weight 508.15 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-6-propylchromen-4-one.
Chemical Property Profile of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one
Property Insights of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one
The XLogP value of 7.25372 indicates that 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-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)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-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)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-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)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one?
The CAS number of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one is 578701-08-3.
What is the molecular formula of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one?
The molecular formula of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one is C29H26ClFO5.
What is the molecular weight of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one?
The molecular weight of 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one is 508.15 g/mol.
Where can I buy 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one?
You can request a quote for 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-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)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2H,3H,4H-benzo[b]1,4-dioxepan-7-yl)-7-[(2-chloro-6-fluorophenyl)methoxy]-2- methyl-6-propylchromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.