![5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate structure](/static/products/885/885199-38-2.png)
5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate
TL;DR: 5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate (CAS 885199-38-2) is a chemical compound with molecular formula C29H40N4O2 and molecular weight 476.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-butyl-5-(2-ethylhexyl)-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-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate, 5-butyl-3-(2-ethylhexyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl pentanoate
| Molecular Formula | C29H40N4O2 |
|---|---|
| Molecular Weight | 476.32 g/mol |
| LogP | 7.4918 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 476.31512 |
| Heavy Atoms | 35 |
| Complexity | 1286.5487 |
Chemical Identifiers
| CAS Number | 885199-38-2 |
|---|---|
| SMILES | CCCCC1=NC2=C(C(=CN2CC(CC)CCCC)OC(=O)CCCC)C3=NC4=CC=CC=C4N13 |
Product Overview
5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate (CAS 885199-38-2), with molecular formula C29H40N4O2 and molecular weight 476.32 g/mol. IUPAC: [8-butyl-5-(2-ethylhexyl)-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-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate
Property Insights of 5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate
The XLogP value of 7.4918 indicates that 5-butyl-3-(2-ethylhexyl)-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 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-butyl-3-(2-ethylhexyl)-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-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate 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-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
The CAS number of 5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate is 885199-38-2.
What is the molecular formula of 5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
The molecular formula of 5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate is C29H40N4O2.
What is the molecular weight of 5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate?
The molecular weight of 5-butyl-3-(2-ethylhexyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate is 476.32 g/mol.
Where can I buy 5-butyl-3-(2-ethylhexyl)-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-(2-ethylhexyl)-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-(2-ethylhexyl)-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-(2-ethylhexyl)-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.