![4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one structure](/static/products/902/902041-17-2.png)
4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one
TL;DR: 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one (CAS 902041-17-2) is a chemical compound with molecular formula C21H16BrN5O and molecular weight 433.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-9-ethyl-4-methyl-5,6,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),4,8,11,13,15-heptaen-3-one
Also Known As: 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one, 4-(4-bromophenyl)-6-ethyl-2-methylpyridazino[3',4':4,5]pyrimido[1,6-a]benzimidazol-1(4H)-one
| Molecular Formula | C21H16BrN5O |
|---|---|
| Molecular Weight | 433.05 g/mol |
| LogP | 4.21492 |
| Topological Polar Surface Area | 65.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.05383 |
| Heavy Atoms | 28 |
| Complexity | 1433.4891 |
Chemical Identifiers
| CAS Number | 902041-17-2 |
|---|---|
| SMILES | CCC1=NC2=C(C(=O)C(=NN2C3=CC=C(C=C3)Br)C)C4=NC5=CC=CC=C5N14 |
Product Overview
4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one (CAS 902041-17-2), with molecular formula C21H16BrN5O and molecular weight 433.05 g/mol. IUPAC: 6-(4-bromophenyl)-9-ethyl-4-methyl-5,6,8,10,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),4,8,11,13,15-heptaen-3-one.
Chemical Property Profile of 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one
Property Insights of 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one
The XLogP value of 4.21492 indicates that 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one 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-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one?
The CAS number of 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one is 902041-17-2.
What is the molecular formula of 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one?
The molecular formula of 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one is C21H16BrN5O.
What is the molecular weight of 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one?
The molecular weight of 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one is 433.05 g/mol.
Where can I buy 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one?
You can request a quote for 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-6-ethyl-2-methylbenzo[4',5']imidazo[1',2':1,6]pyrimido[4,5-c]pyridazin-1(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.