![2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate structure](/static/products/866/866144-92-5.png)
2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate
TL;DR: 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate (CAS 866144-92-5) is a chemical compound with molecular formula C20H16FN3O3 and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4-oxo-1H-pyrimido[1,2-a]benzimidazol-3-yl)ethyl 4-fluorobenzoate
Also Known As: 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate, 2-(2-methyl-4-oxo-1H-pyrimido[1,2-a]benzimidazol-3-yl)ethyl 4-fluorobenzoate, 2-{11-methyl-13-oxo-1,8,10-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,11-pentaen-12-yl}ethyl 4-fluorobenzoate, 2-(2-Methyl-4-oxo-1,4-dihydropyrimido1,2-a1,3benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate, 2-{11-methyl-13-oxo-1,8,10-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,11-pentaen-12-yl}ethyl4-fluorobenzoate
| Molecular Formula | C20H16FN3O3 |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 3.02282 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.11758 |
| Heavy Atoms | 27 |
| Complexity | 1209.078 |
Chemical Identifiers
| CAS Number | 866144-92-5 |
|---|---|
| SMILES | CC1=C(C(=O)N2C3=CC=CC=C3N=C2N1)CCOC(=O)C4=CC=C(C=C4)F |
Product Overview
2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate (CAS 866144-92-5), with molecular formula C20H16FN3O3 and molecular weight 365.12 g/mol. IUPAC: 2-(2-methyl-4-oxo-1H-pyrimido[1,2-a]benzimidazol-3-yl)ethyl 4-fluorobenzoate.
Chemical Property Profile of 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate
Property Insights of 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate
The XLogP value of 3.02282 indicates that 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate. Following Lipinski's Rule of Five, 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate has 1 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 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate?
The CAS number of 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate is 866144-92-5.
What is the molecular formula of 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate?
The molecular formula of 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate is C20H16FN3O3.
What is the molecular weight of 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate?
The molecular weight of 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate is 365.12 g/mol.
Where can I buy 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate?
You can request a quote for 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-4-oxo-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl)ethyl 4-fluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.