![(E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one structure](/static/products/329/329060-29-9.png)
(E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
TL;DR: (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 329060-29-9) is a chemical compound with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-((1E)-2-(2H,3H,4H-benzo[b]1,4-dioxepan-6-yl)-1-azavinyl)-2,3-dimethyl-1-phen yl-3-pyrazolin-5-one, 4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one, 4-{[(E)-3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H21N3O3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | 3.39632 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.1583 |
| Heavy Atoms | 27 |
| Complexity | 1048.524 |
Chemical Identifiers
| CAS Number | 329060-29-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C4C(=CC=C3)OCCCO4 |
Product Overview
(E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 329060-29-9), with molecular formula C21H21N3O3 and molecular weight 363.16 g/mol. IUPAC: 4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Property Insights of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
The XLogP value of 3.39632 indicates that (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.75 Ų, (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The CAS number of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 329060-29-9.
What is the molecular formula of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular formula of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is C21H21N3O3.
What is the molecular weight of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
The molecular weight of (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one is 363.16 g/mol.
Where can I buy (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
You can request a quote for (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(((3,4-dihydro-2H-benzo[b][1,4]dioxepin-6-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.