AE-406/41057061
TL;DR: AE-406/41057061 (CAS 485319-41-3) is a chemical compound with molecular formula C20H13Cl2N3O2 and molecular weight 397.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-chloro-1-(4-chlorophenyl)-4-oxopyrimido[1,2-b]pyridazin-1-ium-2-olate
Also Known As: AE-406/41057061, 3-benzyl-7-chloro-1-(4-chlorophenyl)-2-oxo-1H,2H-pyrimido[1,2-b]pyridazin-5-ium-4-olate, 3-benzyl-7-chloro-1-(4-chlorophenyl)-4-oxopyrimido[1,2-b]pyridazin-5-ium-2-olate
| Molecular Formula | C20H13Cl2N3O2 |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 2.9424 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.03848 |
| Heavy Atoms | 27 |
| Complexity | 1189.9785 |
Chemical Identifiers
| CAS Number | 485319-41-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C([N+](=C3C=CC(=NN3C2=O)Cl)C4=CC=C(C=C4)Cl)[O-] |
Product Overview
AE-406/41057061 (CAS 485319-41-3), with molecular formula C20H13Cl2N3O2 and molecular weight 397.04 g/mol. IUPAC: 3-benzyl-7-chloro-1-(4-chlorophenyl)-4-oxopyrimido[1,2-b]pyridazin-1-ium-2-olate.
Chemical Property Profile of AE-406/41057061
Property Insights of AE-406/41057061
The XLogP value of 2.9424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-406/41057061. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-406/41057061. Following Lipinski's Rule of Five, AE-406/41057061 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 AE-406/41057061?
The CAS number of AE-406/41057061 is 485319-41-3.
What is the molecular formula of AE-406/41057061?
The molecular formula of AE-406/41057061 is C20H13Cl2N3O2.
What is the molecular weight of AE-406/41057061?
The molecular weight of AE-406/41057061 is 397.04 g/mol.
Where can I buy AE-406/41057061?
You can request a quote for AE-406/41057061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-406/41057061?
Yes, KEHONG BIO provides custom synthesis services for AE-406/41057061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.