4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone
TL;DR: 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone (CAS 303987-65-7) is a chemical compound with molecular formula C10H12Br2N2O2 and molecular weight 349.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one
Also Known As: Bionet1_003408, 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone, 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one, 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-2,3-dihydropyridazin-3-one, 4,5-dibromo-2-(2-keto-3,3-dimethyl-butyl)pyridazin-3-one
| Molecular Formula | C10H12Br2N2O2 |
|---|---|
| Molecular Weight | 349.93 g/mol |
| LogP | 2.3835 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.92654 |
| Heavy Atoms | 16 |
| Complexity | 474.68787 |
Chemical Identifiers
| CAS Number | 303987-65-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)Br)Br |
Product Overview
4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone (CAS 303987-65-7), with molecular formula C10H12Br2N2O2 and molecular weight 349.93 g/mol. IUPAC: 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)pyridazin-3-one.
Chemical Property Profile of 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone
Property Insights of 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone
The XLogP value of 2.3835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 51.96 Ų, 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone has 0 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 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
The CAS number of 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone is 303987-65-7.
What is the molecular formula of 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
The molecular formula of 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone is C10H12Br2N2O2.
What is the molecular weight of 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
The molecular weight of 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone is 349.93 g/mol.
Where can I buy 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
You can request a quote for 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dibromo-2-(3,3-dimethyl-2-oxobutyl)-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.