6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one
TL;DR: 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one (CAS 1079-72-7) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one
Also Known As: 6-(4-methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one, ChemDiv3_013041, 6-(p-tolyl)-4,5-dihydro-3(2H)-pyridazinone, 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one, 6-p-Tolyl-4,5-dihydro-2H-pyridazin-3-one
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 1079-72-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=O)CC2 |
| InChIKey | JPAYUPFRSQJUOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one (CAS 1079-72-7), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
Chemical Property Profile of 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one
Property Insights of 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one. With a topological polar surface area (TPSA) of 41.5 Ų, 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one has 1 hydrogen bond donor(s) and 2 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-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one?
The CAS number of 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one is 1079-72-7.
What is the molecular formula of 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one?
The molecular formula of 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one is C11H12N2O.
What is the molecular weight of 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one?
The molecular weight of 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one is 188.09 g/mol.
Where can I buy 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one?
You can request a quote for 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-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-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Methylphenyl)-2,3,4,5-tetrahydropyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.