(4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate
TL;DR: (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate (CAS 439108-06-2) is a chemical compound with molecular formula C12H6Br2Cl2N2O3 and molecular weight 453.81 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 3,4-dichlorobenzoate
Also Known As: (4,5-dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate, 3T-1483, [4,5-dibromo-6-oxo-1(6H)-pyridazinyl]methyl 3,4-dichlorobenzenecarboxylate, (4,5-dibromo-6-oxo-1,6-dihydropyridazin-1-yl)methyl 3,4-dichlorobenzoate, (4,5-dibromo-6-oxo-pyridazin-1-yl)methyl 3,4-dichlorobenzoate
| Molecular Formula | C12H6Br2Cl2N2O3 |
|---|---|
| Molecular Weight | 453.81 g/mol |
| LogP | 3.8896 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.81223 |
| Heavy Atoms | 21 |
| Complexity | 764.65314 |
Chemical Identifiers
| CAS Number | 439108-06-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)OCN2C(=O)C(=C(C=N2)Br)Br)Cl)Cl |
Product Overview
(4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate (CAS 439108-06-2), with molecular formula C12H6Br2Cl2N2O3 and molecular weight 453.81 g/mol. IUPAC: (4,5-dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate.
Chemical Property Profile of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate
Property Insights of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate
The XLogP value of 3.8896 indicates that (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate. Following Lipinski's Rule of Five, (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate 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-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate?
The CAS number of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate is 439108-06-2.
What is the molecular formula of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate?
The molecular formula of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate is C12H6Br2Cl2N2O3.
What is the molecular weight of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate?
The molecular weight of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate is 453.81 g/mol.
Where can I buy (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate?
You can request a quote for (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate 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-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.