![5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate structure](/static/products/885/885198-95-8.png)
5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
TL;DR: 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate (CAS 885198-95-8) is a chemical compound with molecular formula C28H35N5O3 and molecular weight 489.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-(2-methylpropyl)-5-[3-(2-oxopyrrolidin-1-yl)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] 3-methylbutanoate
Also Known As: 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate, 5-isobutyl-3-(3-(2-oxopyrrolidin-1-yl)propyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl 3-methylbutanoate
| Molecular Formula | C28H35N5O3 |
|---|---|
| Molecular Weight | 489.27 g/mol |
| LogP | 4.9997 |
| Topological Polar Surface Area | 81.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.274 |
| Heavy Atoms | 36 |
| Complexity | 1431.7761 |
Chemical Identifiers
| CAS Number | 885198-95-8 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C(=CN2CCCN3CCCC3=O)OC(=O)CC(C)C)C4=NC5=CC=CC=C5N14 |
Product Overview
5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate (CAS 885198-95-8), with molecular formula C28H35N5O3 and molecular weight 489.27 g/mol. IUPAC: [8-(2-methylpropyl)-5-[3-(2-oxopyrrolidin-1-yl)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] 3-methylbutanoate.
Chemical Property Profile of 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
Property Insights of 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate
The XLogP value of 4.9997 indicates that 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate. Following Lipinski's Rule of Five, 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate has 0 hydrogen bond donor(s) and 5 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 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
The CAS number of 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate is 885198-95-8.
What is the molecular formula of 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
The molecular formula of 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate is C28H35N5O3.
What is the molecular weight of 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
The molecular weight of 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate is 489.27 g/mol.
Where can I buy 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
You can request a quote for 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-methylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.