N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide
TL;DR: N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide (CAS 166982-64-5) is a chemical compound with molecular formula C34H36N8O3 and molecular weight 604.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide
Also Known As: N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide, 1H-Imidazole-2-carboxamide,N-[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-4-[[1-oxo-4-(4-pyrenyl)butyl]amino]-, N-[2-(2-dimethylaminoethylcarbamoyl)-1-methylimidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide, N-[2-(Dimethylamino)ethyl]-1-methyl-4-{1-methyl-4-[4-(pyren-4-yl)butanamido]-1H-imidazole-2-carboxamido}-1H-imidazole-2-carboxamide, N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide
| Molecular Formula | C34H36N8O3 |
|---|---|
| Molecular Weight | 604.29 g/mol |
| LogP | 4.5561 |
| Topological Polar Surface Area | 126.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 604.291 |
| Heavy Atoms | 45 |
| Complexity | 2040.385 |
Chemical Identifiers
| CAS Number | 166982-64-5 |
|---|---|
| SMILES | CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)CCCC3=CC4=CC=CC5=C4C6=C(C=CC=C36)C=C5 |
Product Overview
N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide (CAS 166982-64-5), with molecular formula C34H36N8O3 and molecular weight 604.29 g/mol. IUPAC: N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methyl-4-(4-pyren-4-ylbutanoylamino)imidazole-2-carboxamide.
Chemical Property Profile of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide
Property Insights of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide
The XLogP value of 4.5561 indicates that N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide. Following Lipinski's Rule of Five, N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide?
The CAS number of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide is 166982-64-5.
What is the molecular formula of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide?
The molecular formula of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide is C34H36N8O3.
What is the molecular weight of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide?
The molecular weight of N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide is 604.29 g/mol.
Where can I buy N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide?
You can request a quote for N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4-((1-oxo-4-(4-pyrenyl)butyl)amino)-1H-imidazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.