![3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate structure](/static/products/849/849033-50-7.png)
3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate
TL;DR: 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate (CAS 849033-50-7) is a chemical compound with molecular formula C33H26F2N4O2 and molecular weight 548.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[2-(cyclohexen-1-yl)ethyl]-8-(4-fluorophenyl)-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: 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate, 3-[2-(cyclohex-1-en-1-yl)ethyl]-5-(4-fluorophenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-fluorobenzoate
| Molecular Formula | C33H26F2N4O2 |
|---|---|
| Molecular Weight | 548.20 g/mol |
| LogP | 7.8921 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 548.2024 |
| Heavy Atoms | 41 |
| Complexity | 1954.0474 |
Chemical Identifiers
| CAS Number | 849033-50-7 |
|---|---|
| SMILES | C1CCC(=CC1)CCN2C=C(C3=C2N=C(N4C3=NC5=CC=CC=C54)C6=CC=C(C=C6)F)OC(=O)C7=CC=C(C=C7)F |
Product Overview
3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate (CAS 849033-50-7), with molecular formula C33H26F2N4O2 and molecular weight 548.20 g/mol. IUPAC: [5-[2-(cyclohexen-1-yl)ethyl]-8-(4-fluorophenyl)-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 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate
Property Insights of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate
The XLogP value of 7.8921 indicates that 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-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 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate. Following Lipinski's Rule of Five, 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
The CAS number of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate is 849033-50-7.
What is the molecular formula of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
The molecular formula of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate is C33H26F2N4O2.
What is the molecular weight of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
The molecular weight of 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate is 548.20 g/mol.
Where can I buy 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-fluorobenzoate?
You can request a quote for 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-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 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-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 3-(2-(cyclohex-1-en-1-yl)ethyl)-5-(4-fluorophenyl)-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.