1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione
TL;DR: 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione (CAS 96396-16-6) is a chemical compound with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dibutyldiazinane-3,6-dione
Also Known As: 1,2-dibutyldiazinane-3,6-dione, 1,2-Dibutyltetrahydropyridazine-3,6-dione, 1,2-dibutyl-1,2-diazinane-3,6-dione, 1,2-dibutyl-tetrahydro-pyridazine-3,6-dione, 1,2-BUTYL-4,5-DIHYDRO-3,6(1H,2H)-PYRIDAZINEDIONE
| Molecular Formula | C12H22N2O2 |
|---|---|
| Molecular Weight | 226.17 g/mol |
| LogP | 1.9526 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.16812 |
| Heavy Atoms | 16 |
| Complexity | 227.40332 |
Chemical Identifiers
| CAS Number | 96396-16-6 |
|---|---|
| SMILES | CCCCN1C(=O)CCC(=O)N1CCCC |
Product Overview
1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione (CAS 96396-16-6), with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol. IUPAC: 1,2-dibutyldiazinane-3,6-dione.
Chemical Property Profile of 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione
Property Insights of 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione
The XLogP value of 1.9526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione. With a topological polar surface area (TPSA) of 40.62 Ų, 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione has 0 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-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione?
The CAS number of 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione is 96396-16-6.
What is the molecular formula of 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione?
The molecular formula of 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione is C12H22N2O2.
What is the molecular weight of 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione?
The molecular weight of 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione is 226.17 g/mol.
Where can I buy 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione?
You can request a quote for 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-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-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Butyl-4,5-dihydro-3,6(1H,2H)-pyridazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.