4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
TL;DR: 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide (CAS 147056-64-2) is a chemical compound with molecular formula C25H33Cl2N9O3 and molecular weight 577.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
Also Known As: 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide, 1H-Imidazole-2-carboxamide,4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[[2-(dimethylamino)ethyl]amino]carbonyl]-1-methyl-1H-imidazol-4-yl]-1-methyl-, 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide, 1-Methyl-4-[[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-1H-imidazol-2-yl]carbonyl]amino]-N-[2-(dimethylamino)ethyl]-1H-imidazole-2-carboxamide, 4-(4-{4-[bis(2-chloroethyl)amino]benzamido}-1-methyl-1H-imidazole-2-amido)-N-[2-(dimethylamino)ethyl]-1-methyl-1H-imidazole-2-carboxamide
| Molecular Formula | C25H33Cl2N9O3 |
|---|---|
| Molecular Weight | 577.21 g/mol |
| LogP | 2.2336 |
| Topological Polar Surface Area | 129.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 577.2083 |
| Heavy Atoms | 39 |
| Complexity | 1282.4465 |
Chemical Identifiers
| CAS Number | 147056-64-2 |
|---|---|
| SMILES | CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NCCN(C)C)C)NC(=O)C3=CC=C(C=C3)N(CCCl)CCCl |
Product Overview
4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide (CAS 147056-64-2), with molecular formula C25H33Cl2N9O3 and molecular weight 577.21 g/mol. IUPAC: 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide.
Chemical Property Profile of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
Property Insights of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide
The XLogP value of 2.2336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide. The TPSA of 129.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide. Following Lipinski's Rule of Five, 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
The CAS number of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide is 147056-64-2.
What is the molecular formula of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
The molecular formula of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide is C25H33Cl2N9O3.
What is the molecular weight of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
The molecular weight of 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide is 577.21 g/mol.
Where can I buy 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
You can request a quote for 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-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 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(Bis(2-chloroethyl)amino)benzoyl)amino)-N-(2-(((2-(dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-1H-imidazole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.