![methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate structure](/static/products/572/5726-71-6.png)
methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate
TL;DR: methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate (CAS 5726-71-6) is a chemical compound with molecular formula C33H24ClFN6O2 and molecular weight 590.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[9-(3-chloro-4-fluoroanilino)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-17-yl]benzoate
Also Known As: methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate, methyl 4-{6-[(3-chloro-4-fluorophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
| Molecular Formula | C33H24ClFN6O2 |
|---|---|
| Molecular Weight | 590.16 g/mol |
| LogP | 7.55512 |
| Topological Polar Surface Area | 84.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 590.1633 |
| Heavy Atoms | 43 |
| Complexity | 1952.5233 |
Chemical Identifiers
| CAS Number | 5726-71-6 |
|---|---|
| SMILES | CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC(=C(C=C5)F)Cl)C6=CC=C(C=C6)C(=O)OC)C7=CC=CC=C7 |
Product Overview
methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate (CAS 5726-71-6), with molecular formula C33H24ClFN6O2 and molecular weight 590.16 g/mol. IUPAC: methyl 4-[9-(3-chloro-4-fluoroanilino)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-17-yl]benzoate.
Chemical Property Profile of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate
Property Insights of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate
The XLogP value of 7.55512 indicates that methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate?
The CAS number of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate is 5726-71-6.
What is the molecular formula of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate?
The molecular formula of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate is C33H24ClFN6O2.
What is the molecular weight of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate?
The molecular weight of methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate is 590.16 g/mol.
Where can I buy methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate?
You can request a quote for methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(6-((3-chloro-4-fluorophenyl)amino)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.