![3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate structure](/static/products/885/885174-33-4.png)
3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate
TL;DR: 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate (CAS 885174-33-4) is a chemical compound with molecular formula C28H38N4O2 and molecular weight 462.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3-methylbutyl)-8-pentyl-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] hexanoate
Also Known As: 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate, 3-(3-methylbutyl)-5-pentyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl hexanoate
| Molecular Formula | C28H38N4O2 |
|---|---|
| Molecular Weight | 462.30 g/mol |
| LogP | 7.1017 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 462.29947 |
| Heavy Atoms | 34 |
| Complexity | 1268.1108 |
Chemical Identifiers
| CAS Number | 885174-33-4 |
|---|---|
| SMILES | CCCCCC1=NC2=C(C(=CN2CCC(C)C)OC(=O)CCCCC)C3=NC4=CC=CC=C4N13 |
Product Overview
3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate (CAS 885174-33-4), with molecular formula C28H38N4O2 and molecular weight 462.30 g/mol. IUPAC: [5-(3-methylbutyl)-8-pentyl-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] hexanoate.
Chemical Property Profile of 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate
Property Insights of 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate
The XLogP value of 7.1017 indicates that 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate 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 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate. Following Lipinski's Rule of Five, 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate 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 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
The CAS number of 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate is 885174-33-4.
What is the molecular formula of 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
The molecular formula of 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate is C28H38N4O2.
What is the molecular weight of 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
The molecular weight of 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate is 462.30 g/mol.
Where can I buy 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
You can request a quote for 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-isopentyl-5-pentyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.