![[4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate structure](/static/products/4391/439108-07-3.webp)
[4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate
TL;DR: [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate (CAS 439108-07-3) is a chemical compound with molecular formula C12H7Br2FN2O3 and molecular weight 403.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobenzoate
Also Known As: ksc-8-110, (4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobenzoate, [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate, (4,5-dibromo-6-oxo-1,6-dihydropyridazin-1-yl)methyl 4-fluorobenzoate, 4-fluorobenzoic acid (4,5-dibromo-6-oxo-1-pyridazinyl)methyl ester
| Molecular Formula | C12H7Br2FN2O3 |
|---|---|
| Molecular Weight | 403.88 g/mol |
| LogP | 2.7219 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.88074 |
| Heavy Atoms | 20 |
| Complexity | 700.83887 |
Chemical Identifiers
| CAS Number | 439108-07-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCN2C(=O)C(=C(C=N2)Br)Br)F |
Product Overview
[4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate (CAS 439108-07-3), with molecular formula C12H7Br2FN2O3 and molecular weight 403.88 g/mol. IUPAC: (4,5-dibromo-6-oxopyridazin-1-yl)methyl 4-fluorobenzoate.
Chemical Property Profile of [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate
Property Insights of [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate
The XLogP value of 2.7219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate. Following Lipinski's Rule of Five, [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate has 0 hydrogen bond donor(s) and 4 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-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate?
The CAS number of [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate is 439108-07-3.
What is the molecular formula of [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate?
The molecular formula of [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate is C12H7Br2FN2O3.
What is the molecular weight of [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate?
The molecular weight of [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate is 403.88 g/mol.
Where can I buy [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate?
You can request a quote for [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate 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-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 4-fluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.