(E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one
TL;DR: (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one (CAS 330841-98-0) is a chemical compound with molecular formula C21H14ClN3O4 and molecular weight 407.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-(3-chlorophenyl)-5-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]pyrazol-3-one
Also Known As: (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one, F0452-4319, (4E)-2-(3-chlorophenyl)-5-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]pyrazol-3-one, A1907/0080123, (4E)-2-(3-chlorophenyl)-5-methyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C21H14ClN3O4 |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 5.3143 |
| Topological Polar Surface Area | 88.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.0673 |
| Heavy Atoms | 29 |
| Complexity | 1195.8967 |
Chemical Identifiers
| CAS Number | 330841-98-0 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C4=CC(=CC=C4)Cl |
Product Overview
(E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one (CAS 330841-98-0), with molecular formula C21H14ClN3O4 and molecular weight 407.07 g/mol. IUPAC: (4E)-2-(3-chlorophenyl)-5-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]pyrazol-3-one.
Chemical Property Profile of (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one
Property Insights of (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one
The XLogP value of 5.3143 indicates that (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one. Following Lipinski's Rule of Five, (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-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 (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one?
The CAS number of (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one is 330841-98-0.
What is the molecular formula of (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one?
The molecular formula of (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one is C21H14ClN3O4.
What is the molecular weight of (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one?
The molecular weight of (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one is 407.07 g/mol.
Where can I buy (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one?
You can request a quote for (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-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)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3-chlorophenyl)-3-methyl-4-((5-(2-nitrophenyl)furan-2-yl)methylene)-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.