![propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate structure](/static/products/877/877801-23-5.png)
propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
TL;DR: propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 877801-23-5) is a chemical compound with molecular formula C25H22N4O4 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 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: propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate, propyl 4-[1-(acetyloxy)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-3-yl]benzoate
| Molecular Formula | C25H22N4O4 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 4.62692 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.1641 |
| Heavy Atoms | 33 |
| Complexity | 1529.6981 |
Chemical Identifiers
| CAS Number | 877801-23-5 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)N2C=C(C3=C2N=C(N4C3=NC5=CC=CC=C54)C)OC(=O)C |
Product Overview
propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 877801-23-5), with molecular formula C25H22N4O4 and molecular weight 442.16 g/mol. IUPAC: propyl 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 propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
Property Insights of propyl 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 4.62692 indicates that propyl 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 propyl 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, propyl 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 propyl 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 propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 877801-23-5.
What is the molecular formula of propyl 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 propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is C25H22N4O4.
What is the molecular weight of propyl 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 propyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 442.16 g/mol.
Where can I buy propyl 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 propyl 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 propyl 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 propyl 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.