(4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate
TL;DR: (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate (CAS 439108-08-4) is a chemical compound with molecular formula C12H6Br2F2N2O3 and molecular weight 421.87 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 2,6-difluorobenzoate
Also Known As: ksc-8-107, KSC-8-62, KUC104282N-2, KUC104282N-02, (4,5-dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate
| Molecular Formula | C12H6Br2F2N2O3 |
|---|---|
| Molecular Weight | 421.87 g/mol |
| LogP | 2.861 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.8713 |
| Heavy Atoms | 21 |
| Complexity | 744.40314 |
Chemical Identifiers
| CAS Number | 439108-08-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OCN2C(=O)C(=C(C=N2)Br)Br)F |
Product Overview
(4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate (CAS 439108-08-4), with molecular formula C12H6Br2F2N2O3 and molecular weight 421.87 g/mol. IUPAC: (4,5-dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate.
Chemical Property Profile of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate
Property Insights of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate
The XLogP value of 2.861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate. 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 2,6-difluorobenzoate. Following Lipinski's Rule of Five, (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate 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 2,6-difluorobenzoate?
The CAS number of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate is 439108-08-4.
What is the molecular formula of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate?
The molecular formula of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate is C12H6Br2F2N2O3.
What is the molecular weight of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate?
The molecular weight of (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate is 421.87 g/mol.
Where can I buy (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate?
You can request a quote for (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate 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 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4,5-Dibromo-6-oxopyridazin-1-yl)methyl 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.