4-((p-Methylphenacylidene)amino)antipyrine
TL;DR: 4-((p-Methylphenacylidene)amino)antipyrine (CAS 56050-99-8) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-4-[[2-(4-methylphenyl)-2-oxoethylidene]amino]-2-phenylpyrazol-3-one
Also Known As: 4-((p-Methylphenacylidene)amino)antipyrine, KST-1B5612, Antipyrine, 4-((p-methylphenacylidene)amino)-, 5-25-14-00098 (Beilstein Handbook Reference), 1,5-dimethyl-4-{[(1e)-2-(4-methylphenyl)-2-oxoethylidene]amino}-2-phenyl-1,2-dihydro-3h-pyrazol-3-one
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 56050-99-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
| InChIKey | DKHWRGYJZMPPSE-UHFFFAOYSA-N |
Product Overview
4-((p-Methylphenacylidene)amino)antipyrine (CAS 56050-99-8), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: 1,5-dimethyl-4-[[2-(4-methylphenyl)-2-oxoethylidene]amino]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-((p-Methylphenacylidene)amino)antipyrine
Property Insights of 4-((p-Methylphenacylidene)amino)antipyrine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((p-Methylphenacylidene)amino)antipyrine. With a topological polar surface area (TPSA) of 53.0 Ų, 4-((p-Methylphenacylidene)amino)antipyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((p-Methylphenacylidene)amino)antipyrine 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 4-((p-Methylphenacylidene)amino)antipyrine?
The CAS number of 4-((p-Methylphenacylidene)amino)antipyrine is 56050-99-8.
What is the molecular formula of 4-((p-Methylphenacylidene)amino)antipyrine?
The molecular formula of 4-((p-Methylphenacylidene)amino)antipyrine is C20H19N3O2.
What is the molecular weight of 4-((p-Methylphenacylidene)amino)antipyrine?
The molecular weight of 4-((p-Methylphenacylidene)amino)antipyrine is 333.15 g/mol.
Where can I buy 4-((p-Methylphenacylidene)amino)antipyrine?
You can request a quote for 4-((p-Methylphenacylidene)amino)antipyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((p-Methylphenacylidene)amino)antipyrine?
Yes, KEHONG BIO provides custom synthesis services for 4-((p-Methylphenacylidene)amino)antipyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.