![3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate structure](/static/products/861/861638-68-8.png)
3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate
TL;DR: 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate (CAS 861638-68-8) is a chemical compound with molecular formula C30H26N4O3 and molecular weight 490.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2-methoxyethyl)-8-(4-methylphenyl)-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] 4-methylbenzoate
Also Known As: 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate, 3-(2-methoxyethyl)-5-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 4-methylbenzoate
| Molecular Formula | C30H26N4O3 |
|---|---|
| Molecular Weight | 490.20 g/mol |
| LogP | 5.98664 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.2005 |
| Heavy Atoms | 37 |
| Complexity | 1763.4937 |
Chemical Identifiers
| CAS Number | 861638-68-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C(=CN3CCOC)OC(=O)C4=CC=C(C=C4)C)C5=NC6=CC=CC=C6N25 |
Product Overview
3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate (CAS 861638-68-8), with molecular formula C30H26N4O3 and molecular weight 490.20 g/mol. IUPAC: [5-(2-methoxyethyl)-8-(4-methylphenyl)-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] 4-methylbenzoate.
Chemical Property Profile of 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate
Property Insights of 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate
The XLogP value of 5.98664 indicates that 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate 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-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate. Following Lipinski's Rule of Five, 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate 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-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate?
The CAS number of 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate is 861638-68-8.
What is the molecular formula of 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate?
The molecular formula of 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate is C30H26N4O3.
What is the molecular weight of 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate?
The molecular weight of 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate is 490.20 g/mol.
Where can I buy 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate?
You can request a quote for 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methoxyethyl)-5-(4-methylphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.