![5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate structure](/static/products/877/877800-58-3.png)
5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate
TL;DR: 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate (CAS 877800-58-3) is a chemical compound with molecular formula C28H30N4O3 and molecular weight 470.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-butyl-5-(3-methoxyphenyl)-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] pentanoate
Also Known As: 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate, 5-butyl-3-(3-methoxyphenyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl pentanoate
| Molecular Formula | C28H30N4O3 |
|---|---|
| Molecular Weight | 470.23 g/mol |
| LogP | 6.2732 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 470.23178 |
| Heavy Atoms | 35 |
| Complexity | 1515.5472 |
Chemical Identifiers
| CAS Number | 877800-58-3 |
|---|---|
| SMILES | CCCCC1=NC2=C(C(=CN2C3=CC(=CC=C3)OC)OC(=O)CCCC)C4=NC5=CC=CC=C5N14 |
Product Overview
5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate (CAS 877800-58-3), with molecular formula C28H30N4O3 and molecular weight 470.23 g/mol. IUPAC: [8-butyl-5-(3-methoxyphenyl)-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] pentanoate.
Chemical Property Profile of 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate
Property Insights of 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate
The XLogP value of 6.2732 indicates that 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate 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 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate. Following Lipinski's Rule of Five, 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate 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 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
The CAS number of 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate is 877800-58-3.
What is the molecular formula of 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
The molecular formula of 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate is C28H30N4O3.
What is the molecular weight of 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
The molecular weight of 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate is 470.23 g/mol.
Where can I buy 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
You can request a quote for 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 5-butyl-3-(3-methoxyphenyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.