![methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate structure](/static/products/850/850237-67-1.png)
methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
TL;DR: methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 850237-67-1) is a chemical compound with molecular formula C23H18N4O4 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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: methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate, methyl 4-[1-(acetyloxy)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-3-yl]benzoate
| Molecular Formula | C23H18N4O4 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 3.84672 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1328 |
| Heavy Atoms | 31 |
| Complexity | 1495.6713 |
Chemical Identifiers
| CAS Number | 850237-67-1 |
|---|---|
| SMILES | CC1=NC2=C(C(=CN2C3=CC=C(C=C3)C(=O)OC)OC(=O)C)C4=NC5=CC=CC=C5N14 |
Product Overview
methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate (CAS 850237-67-1), with molecular formula C23H18N4O4 and molecular weight 414.13 g/mol. IUPAC: methyl 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 methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate
Property Insights of methyl 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 3.84672 indicates that methyl 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 methyl 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, methyl 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 methyl 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 methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 850237-67-1.
What is the molecular formula of methyl 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 methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is C23H18N4O4.
What is the molecular weight of methyl 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 methyl 4-(1-acetoxy-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-3-yl)benzoate is 414.13 g/mol.
Where can I buy methyl 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 methyl 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 methyl 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 methyl 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.