![5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate structure](/static/products/861/861638-46-2.png)
5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate
TL;DR: 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate (CAS 861638-46-2) is a chemical compound with molecular formula C28H20F2N4O3 and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-(4-fluorophenyl)-5-(2-methoxyethyl)-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate
Also Known As: 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate, 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-fluorobenzoate
| Molecular Formula | C28H20F2N4O3 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 5.648 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.15036 |
| Heavy Atoms | 37 |
| Complexity | 1774.0945 |
Chemical Identifiers
| CAS Number | 861638-46-2 |
|---|---|
| SMILES | COCCN1C=C(C2=C1N=C(N3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)F)OC(=O)C6=CC=C(C=C6)F |
Product Overview
5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate (CAS 861638-46-2), with molecular formula C28H20F2N4O3 and molecular weight 498.15 g/mol. IUPAC: [8-(4-fluorophenyl)-5-(2-methoxyethyl)-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] 4-fluorobenzoate.
Chemical Property Profile of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate
Property Insights of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate
The XLogP value of 5.648 indicates that 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
The CAS number of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate is 861638-46-2.
What is the molecular formula of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
The molecular formula of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate is C28H20F2N4O3.
What is the molecular weight of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
The molecular weight of 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate is 498.15 g/mol.
Where can I buy 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
You can request a quote for 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-fluorophenyl)-3-(2-methoxyethyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.