1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
TL;DR: 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione (CAS 16705-12-7) is a chemical compound with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxobutyl)-1H-pyridazine-3,6-dione
Also Known As: 2-(3-oxobutyl)-1H-pyridazine-3,6-dione, 1-(3-oxobutyl)-1,2-dihydropyridazine-3,6-dione, ZERO/008037, 3,6-Pyridazinedione, 1,2-dihydro-1-(3-oxobutyl)-, J1.415.518J
| Molecular Formula | C8H10N2O3 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.06914 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 16705-12-7 |
|---|---|
| SMILES | CC(=O)CCN1C(=O)C=CC(=O)N1 |
| InChIKey | XSZIAVBBNVOJRF-UHFFFAOYSA-N |
Product Overview
1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione (CAS 16705-12-7), with molecular formula C8H10N2O3 and molecular weight 182.07 g/mol. IUPAC: 2-(3-oxobutyl)-1H-pyridazine-3,6-dione.
Chemical Property Profile of 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
Property Insights of 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
The XLogP value of -1.1 indicates that 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione. Following Lipinski's Rule of Five, 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione has 1 hydrogen bond donor(s) and 3 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-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione?
The CAS number of 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione is 16705-12-7.
What is the molecular formula of 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione?
The molecular formula of 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione is C8H10N2O3.
What is the molecular weight of 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione?
The molecular weight of 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione is 182.07 g/mol.
Where can I buy 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione?
You can request a quote for 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.