![(6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one structure](/static/products/879/879459-15-1.png)
(6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
TL;DR: (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 879459-15-1) is a chemical compound with molecular formula C28H27FN2O4 and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol
Also Known As: (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one, 2-(4-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)-5-methylpyrazol-3-yl)-4-ethyl-5-[(4- fluorophenyl)methoxy]phenol, 2-(4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl)-4-ethyl-5-((4-fluorobenzyl)oxy)phenol, 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorobenzyl)oxy]phenol, 2-[4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-5-METHYL-1H-PYRAZOL-3-YL]-4-ETHYL-5-[(4-FLUOROPHENYL)METHOXY]PHENOL
| Molecular Formula | C28H27FN2O4 |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 6.19952 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.1955 |
| Heavy Atoms | 35 |
| Complexity | 1348.0721 |
Chemical Identifiers
| CAS Number | 879459-15-1 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1OCC2=CC=C(C=C2)F)O)C3=NNC(=C3C4=CC5=C(C=C4)OCCCO5)C |
Product Overview
(6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one (CAS 879459-15-1), with molecular formula C28H27FN2O4 and molecular weight 474.20 g/mol. IUPAC: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1H-pyrazol-3-yl]-4-ethyl-5-[(4-fluorophenyl)methoxy]phenol.
Chemical Property Profile of (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
Property Insights of (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one
The XLogP value of 6.19952 indicates that (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one has 2 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 (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The CAS number of (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 879459-15-1.
What is the molecular formula of (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular formula of (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is C28H27FN2O4.
What is the molecular weight of (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
The molecular weight of (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one is 474.20 g/mol.
Where can I buy (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
You can request a quote for (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6Z)-6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-4-ethyl-3-[(4-fluorophenyl)methoxy]cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.