(E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one
TL;DR: (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one (CAS 518995-86-3) is a chemical compound with molecular formula C23H17N3O4 and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-benzylidene-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one
Also Known As: (4E)-4-benzylidene-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one, (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C23H17N3O4 |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 4.4379 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12192 |
| Heavy Atoms | 30 |
| Complexity | 1151.3173 |
Chemical Identifiers
| CAS Number | 518995-86-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C\2=NN(C(=O)/C2=C/C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one (CAS 518995-86-3), with molecular formula C23H17N3O4 and molecular weight 399.12 g/mol. IUPAC: (4E)-4-benzylidene-5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-one.
Chemical Property Profile of (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one
Property Insights of (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one
The XLogP value of 4.4379 indicates that (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one. Following Lipinski's Rule of Five, (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one has 0 hydrogen bond donor(s) and 5 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-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one?
The CAS number of (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one is 518995-86-3.
What is the molecular formula of (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one?
The molecular formula of (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one is C23H17N3O4.
What is the molecular weight of (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one?
The molecular weight of (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one is 399.12 g/mol.
Where can I buy (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one?
You can request a quote for (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-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-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-benzylidene-3-(4-methoxyphenyl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.