![3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate structure](/static/products/896/896069-69-5.png)
3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate
TL;DR: 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate (CAS 896069-69-5) is a chemical compound with molecular formula C27H28N4O3 and molecular weight 456.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(2-methoxyphenyl)methyl]-8-propan-2-yl-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] 2-methylpropanoate
Also Known As: 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate, 5-isopropyl-3-(2-methoxybenzyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl isobutyrate
| Molecular Formula | C27H28N4O3 |
|---|---|
| Molecular Weight | 456.22 g/mol |
| LogP | 5.5789 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.21616 |
| Heavy Atoms | 34 |
| Complexity | 1527.8058 |
Chemical Identifiers
| CAS Number | 896069-69-5 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C(=CN2CC3=CC=CC=C3OC)OC(=O)C(C)C)C4=NC5=CC=CC=C5N41 |
Product Overview
3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate (CAS 896069-69-5), with molecular formula C27H28N4O3 and molecular weight 456.22 g/mol. IUPAC: [5-[(2-methoxyphenyl)methyl]-8-propan-2-yl-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] 2-methylpropanoate.
Chemical Property Profile of 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate
Property Insights of 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate
The XLogP value of 5.5789 indicates that 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate. Following Lipinski's Rule of Five, 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate has 0 hydrogen bond donor(s) and 5 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-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate?
The CAS number of 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate is 896069-69-5.
What is the molecular formula of 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate?
The molecular formula of 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate is C27H28N4O3.
What is the molecular weight of 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate?
The molecular weight of 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate is 456.22 g/mol.
Where can I buy 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate?
You can request a quote for 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxybenzyl)-5-(propan-2-yl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.