![5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate structure](/static/products/899/899389-53-8.png)
5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate
TL;DR: 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate (CAS 899389-53-8) is a chemical compound with molecular formula C26H26N4O2 and molecular weight 426.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-methylphenyl)-8-propyl-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] butanoate
Also Known As: 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate, 3-(4-methylphenyl)-5-propyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl butanoate
| Molecular Formula | C26H26N4O2 |
|---|---|
| Molecular Weight | 426.21 g/mol |
| LogP | 5.79282 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.20557 |
| Heavy Atoms | 32 |
| Complexity | 1444.316 |
Chemical Identifiers
| CAS Number | 899389-53-8 |
|---|---|
| SMILES | CCCC1=NC2=C(C(=CN2C3=CC=C(C=C3)C)OC(=O)CCC)C4=NC5=CC=CC=C5N14 |
Product Overview
5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate (CAS 899389-53-8), with molecular formula C26H26N4O2 and molecular weight 426.21 g/mol. IUPAC: [5-(4-methylphenyl)-8-propyl-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] butanoate.
Chemical Property Profile of 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate
Property Insights of 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate
The XLogP value of 5.79282 indicates that 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate 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 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate. Following Lipinski's Rule of Five, 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate 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 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate?
The CAS number of 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate is 899389-53-8.
What is the molecular formula of 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate?
The molecular formula of 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate is C26H26N4O2.
What is the molecular weight of 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate?
The molecular weight of 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate is 426.21 g/mol.
Where can I buy 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate?
You can request a quote for 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 5-propyl-3-(p-tolyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.