1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione
TL;DR: 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione (CAS 489402-44-0) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-methyl-1H-pyridazine-3,6-dione
Also Known As: 1-Benzyl-4-methyl-3,6[1H,2H]-pyridazinedione, 2-benzyl-5-methyl-1H-pyridazine-3,6-dione, 1,2-dihydro-1-benzyl-4-methyl-3,6-pyridazinedione, J2.515.253K, 1-Benzyl-4-methyl-1,2-dihydropyridazine-3,6-dione
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 489402-44-0 |
|---|---|
| SMILES | CC1=CC(=O)N(NC1=O)CC2=CC=CC=C2 |
| InChIKey | SOLREEWSDPFJCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione (CAS 489402-44-0), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 2-benzyl-5-methyl-1H-pyridazine-3,6-dione.
Chemical Property Profile of 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione
Property Insights of 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione. With a topological polar surface area (TPSA) of 49.4 Ų, 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione 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 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione?
The CAS number of 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione is 489402-44-0.
What is the molecular formula of 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione?
The molecular formula of 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione is C12H12N2O2.
What is the molecular weight of 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione?
The molecular weight of 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione is 216.09 g/mol.
Where can I buy 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione?
You can request a quote for 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-1-benzyl-4-methyl-3,6-pyridazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.