1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
TL;DR: 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS 110545-39-6) is a chemical compound with molecular formula C31H33F3N4O7 and molecular weight 630.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzo[e]benzimidazole
Also Known As: 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 2-Hydroxypropane-1,2,3-tricarboxylic acid--1-methyl-2-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-naphtho[1,2-d]imidazole (1/1), 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-methyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzo[e]benzimidazole, RefChem:239371
| Molecular Formula | C31H33F3N4O7 |
|---|---|
| Molecular Weight | 630.23 g/mol |
| LogP | 3.8615 |
| Topological Polar Surface Area | 156.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 630.23016 |
| Heavy Atoms | 45 |
| Complexity | 1681.8295 |
Chemical Identifiers
| CAS Number | 110545-39-6 |
|---|---|
| SMILES | CN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS 110545-39-6), with molecular formula C31H33F3N4O7 and molecular weight 630.23 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;1-methyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzo[e]benzimidazole.
Chemical Property Profile of 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Property Insights of 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
The XLogP value of 3.8615 indicates that 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.43 Ų indicates high polarity, suggesting 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) has 4 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 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The CAS number of 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is 110545-39-6.
What is the molecular formula of 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The molecular formula of 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is C31H33F3N4O7.
What is the molecular weight of 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
The molecular weight of 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) is 630.23 g/mol.
Where can I buy 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
You can request a quote for 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Naphth(1,2-d)imidazole, 1-methyl-2-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.