![ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate structure](/static/products/896/896067-45-1.png)
ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
TL;DR: ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 896067-45-1) is a chemical compound with molecular formula C24H20N4O4 and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-acetyloxy-8-methyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-5-yl)benzoate
Also Known As: ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate, ethyl 4-[1-(acetyloxy)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-3-yl]benzoate
| Molecular Formula | C24H20N4O4 |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 4.23682 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.14847 |
| Heavy Atoms | 32 |
| Complexity | 1512.6798 |
Chemical Identifiers
| CAS Number | 896067-45-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2N=C(N4C3=NC5=CC=CC=C54)C)OC(=O)C |
Product Overview
ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 896067-45-1), with molecular formula C24H20N4O4 and molecular weight 428.15 g/mol. IUPAC: ethyl 4-(3-acetyloxy-8-methyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-5-yl)benzoate.
Chemical Property Profile of ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
Property Insights of ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
The XLogP value of 4.23682 indicates that ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate has 0 hydrogen bond donor(s) and 6 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 ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
The CAS number of ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 896067-45-1.
What is the molecular formula of ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
The molecular formula of ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is C24H20N4O4.
What is the molecular weight of ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
The molecular weight of ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 428.15 g/mol.
Where can I buy ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
You can request a quote for ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.