6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
TL;DR: 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one (CAS 111789-90-3) is a chemical compound with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Also Known As: 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one, Probes2_000454, BAS 00538191, 3-(4-amino-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one, 6-(4-amino-3-nitrophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
| Molecular Formula | C11H12N4O3 |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 1.0371 |
| Topological Polar Surface Area | 110.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.09094 |
| Heavy Atoms | 18 |
| Complexity | 553.21936 |
Chemical Identifiers
| CAS Number | 111789-90-3 |
|---|---|
| SMILES | CC1CC(=O)NN=C1C2=CC(=C(C=C2)N)[N+](=O)[O-] |
Product Overview
6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one (CAS 111789-90-3), with molecular formula C11H12N4O3 and molecular weight 248.09 g/mol. IUPAC: 3-(4-amino-3-nitrophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
Chemical Property Profile of 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
Property Insights of 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
The XLogP value of 1.0371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one. The TPSA of 110.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one. Following Lipinski's Rule of Five, 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one has 2 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 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one?
The CAS number of 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one is 111789-90-3.
What is the molecular formula of 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one?
The molecular formula of 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one is C11H12N4O3.
What is the molecular weight of 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one?
The molecular weight of 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one is 248.09 g/mol.
Where can I buy 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one?
You can request a quote for 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-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 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-amino-3-nitrophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.