![3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate structure](/static/products/3509/350985-23-8.webp)
3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate
TL;DR: 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate (CAS 350985-23-8) is a chemical compound with molecular formula C26H18ClN3O2 and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenylpyrimido[1,2-b]pyridazin-1-ium-2-olate
Also Known As: 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate, AE-406/41056888, 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenylpyrimido[1,2-b]pyridazin-5-ium-2-olate, 1-(4-chlorophenyl)-4-oxo-7-phenyl-3-(phenylmethyl)-2-pyrimido[1,2-b]pyridazin-5-iumolate, 3-benzyl-1-(4-chlorophenyl)-4-keto-7-phenyl-pyrimido[1,2-b]pyridazin-5-ium-2-olate
| Molecular Formula | C26H18ClN3O2 |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 3.956 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.10876 |
| Heavy Atoms | 32 |
| Complexity | 1465.2795 |
Chemical Identifiers
| CAS Number | 350985-23-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C([N+](=C3C=CC(=NN3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)[O-] |
Product Overview
3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate (CAS 350985-23-8), with molecular formula C26H18ClN3O2 and molecular weight 439.11 g/mol. IUPAC: 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenylpyrimido[1,2-b]pyridazin-1-ium-2-olate.
Chemical Property Profile of 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate
Property Insights of 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate
The XLogP value of 3.956 indicates that 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate. Following Lipinski's Rule of Five, 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate 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 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate?
The CAS number of 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate is 350985-23-8.
What is the molecular formula of 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate?
The molecular formula of 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate is C26H18ClN3O2.
What is the molecular weight of 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate?
The molecular weight of 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate is 439.11 g/mol.
Where can I buy 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate?
You can request a quote for 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-1-(4-chlorophenyl)-4-oxo-7-phenyl-4H-pyrimido[1,2-b]pyridazin-1-ium-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.