![3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate structure](/static/products/848/848931-54-4.png)
3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate
TL;DR: 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate (CAS 848931-54-4) is a chemical compound with molecular formula C29H24N4O2 and molecular weight 460.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2-methylpropyl)-8-phenyl-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] benzoate
Also Known As: 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate, 3-(2-methylpropyl)-5-phenyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl benzoate
| Molecular Formula | C29H24N4O2 |
|---|---|
| Molecular Weight | 460.19 g/mol |
| LogP | 6.3794 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.1899 |
| Heavy Atoms | 35 |
| Complexity | 1682.1952 |
Chemical Identifiers
| CAS Number | 848931-54-4 |
|---|---|
| SMILES | CC(C)CN1C=C(C2=C1N=C(N3C2=NC4=CC=CC=C43)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate (CAS 848931-54-4), with molecular formula C29H24N4O2 and molecular weight 460.19 g/mol. IUPAC: [5-(2-methylpropyl)-8-phenyl-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] benzoate.
Chemical Property Profile of 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate
Property Insights of 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate
The XLogP value of 6.3794 indicates that 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate 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-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate. Following Lipinski's Rule of Five, 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate 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-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate?
The CAS number of 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate is 848931-54-4.
What is the molecular formula of 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate?
The molecular formula of 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate is C29H24N4O2.
What is the molecular weight of 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate?
The molecular weight of 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate is 460.19 g/mol.
Where can I buy 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate?
You can request a quote for 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-5-phenyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.