RefChem:239369
TL;DR: RefChem:239369 (CAS 80429-43-2) is a chemical compound with molecular formula C33H37F3N4O7 and molecular weight 658.26 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-propan-2-yl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzo[e]benzimidazole
Also Known As: 1H-Naphth(1,2-d)imidazole, 1-(1-methylethyl)-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-(propan-2-yl)-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-propan-2-yl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzo[e]benzimidazole, RefChem:239369
| Molecular Formula | C33H37F3N4O7 |
|---|---|
| Molecular Weight | 658.26 g/mol |
| LogP | 4.9054 |
| Topological Polar Surface Area | 156.43 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 658.2614 |
| Heavy Atoms | 47 |
| Complexity | 1731.405 |
Chemical Identifiers
| CAS Number | 80429-43-2 |
|---|---|
| SMILES | CC(C)N1C(=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
RefChem:239369 (CAS 80429-43-2), with molecular formula C33H37F3N4O7 and molecular weight 658.26 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;1-propan-2-yl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzo[e]benzimidazole.
Chemical Property Profile of RefChem:239369
Property Insights of RefChem:239369
The XLogP value of 4.9054 indicates that RefChem:239369 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.43 Ų indicates high polarity, suggesting RefChem:239369 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239369 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 RefChem:239369?
The CAS number of RefChem:239369 is 80429-43-2.
What is the molecular formula of RefChem:239369?
The molecular formula of RefChem:239369 is C33H37F3N4O7.
What is the molecular weight of RefChem:239369?
The molecular weight of RefChem:239369 is 658.26 g/mol.
Where can I buy RefChem:239369?
You can request a quote for RefChem:239369 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239369?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239369 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.