![3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate structure](/static/products/862/862106-96-5.png)
3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate
TL;DR: 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate (CAS 862106-96-5) is a chemical compound with molecular formula C26H26N4O4 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(3,4-dimethoxyphenyl)methyl]-8-ethyl-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] propanoate
Also Known As: 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate, 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl propanoate
| Molecular Formula | C26H26N4O4 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 4.7805 |
| Topological Polar Surface Area | 79.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.1954 |
| Heavy Atoms | 34 |
| Complexity | 1532.9763 |
Chemical Identifiers
| CAS Number | 862106-96-5 |
|---|---|
| SMILES | CCC1=NC2=C(C(=CN2CC3=CC(=C(C=C3)OC)OC)OC(=O)CC)C4=NC5=CC=CC=C5N14 |
Product Overview
3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate (CAS 862106-96-5), with molecular formula C26H26N4O4 and molecular weight 458.20 g/mol. IUPAC: [5-[(3,4-dimethoxyphenyl)methyl]-8-ethyl-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] propanoate.
Chemical Property Profile of 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate
Property Insights of 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate
The XLogP value of 4.7805 indicates that 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate. Following Lipinski's Rule of Five, 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate 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 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate?
The CAS number of 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate is 862106-96-5.
What is the molecular formula of 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate?
The molecular formula of 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate is C26H26N4O4.
What is the molecular weight of 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate?
The molecular weight of 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate is 458.20 g/mol.
Where can I buy 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate?
You can request a quote for 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxybenzyl)-5-ethyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.