Antipyrine, 4-((p-nitrophenacylidene)amino)-
TL;DR: Antipyrine, 4-((p-nitrophenacylidene)amino)- (CAS 55812-57-2) is a chemical compound with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]-2-phenylpyrazol-3-one
Also Known As: Antipyrine, 4-((p-nitrophenacylidene)amino)-, KST-1B5582, 4-((p-Nitrophenacylidene)amino)antipyrine, 5-25-14-00098 (Beilstein Handbook Reference), 1,5-dimethyl-4-{[2-(4-nitrophenyl)-2-oxoethyl]amino}-2-phenyl-1,2-dihydro-3h-pyrazol-3-one
| Molecular Formula | C19H18N4O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.1328 |
| Heavy Atoms | 27 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 55812-57-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | VPBHSXIEYTVXPX-UHFFFAOYSA-N |
Product Overview
Antipyrine, 4-((p-nitrophenacylidene)amino)- (CAS 55812-57-2), with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol. IUPAC: 1,5-dimethyl-4-[[2-(4-nitrophenyl)-2-oxoethyl]amino]-2-phenylpyrazol-3-one.
Chemical Property Profile of Antipyrine, 4-((p-nitrophenacylidene)amino)-
Property Insights of Antipyrine, 4-((p-nitrophenacylidene)amino)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antipyrine, 4-((p-nitrophenacylidene)amino)-. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Antipyrine, 4-((p-nitrophenacylidene)amino)-. Following Lipinski's Rule of Five, Antipyrine, 4-((p-nitrophenacylidene)amino)- has 1 hydrogen bond donor(s) and 6 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 Antipyrine, 4-((p-nitrophenacylidene)amino)-?
The CAS number of Antipyrine, 4-((p-nitrophenacylidene)amino)- is 55812-57-2.
What is the molecular formula of Antipyrine, 4-((p-nitrophenacylidene)amino)-?
The molecular formula of Antipyrine, 4-((p-nitrophenacylidene)amino)- is C19H18N4O4.
What is the molecular weight of Antipyrine, 4-((p-nitrophenacylidene)amino)-?
The molecular weight of Antipyrine, 4-((p-nitrophenacylidene)amino)- is 366.13 g/mol.
Where can I buy Antipyrine, 4-((p-nitrophenacylidene)amino)-?
You can request a quote for Antipyrine, 4-((p-nitrophenacylidene)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antipyrine, 4-((p-nitrophenacylidene)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Antipyrine, 4-((p-nitrophenacylidene)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.