RefChem:1056571
TL;DR: RefChem:1056571 (CAS 67931-89-9) is a chemical compound with molecular formula C33H38F6N4O9 and molecular weight 748.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
Also Known As: LJ 1152, 1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol difumarate, 1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-alpha-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, (E)-2-butenedioate (1:2) (salt), (E)-but-2-enedioic acid; 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
| Molecular Formula | C33H38F6N4O9 |
|---|---|
| Molecular Weight | 748.25 g/mol |
| LogP | 4.0661 |
| Topological Polar Surface Area | 171.39 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 748.2543 |
| Heavy Atoms | 52 |
| Complexity | 1390.7859 |
Chemical Identifiers
| CAS Number | 67931-89-9 |
|---|---|
| SMILES | C1N(CCN(C1)C2=CC=CC(=C2)C(F)(F)F)CCOCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056571 (CAS 67931-89-9), with molecular formula C33H38F6N4O9 and molecular weight 748.25 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine.
Chemical Property Profile of RefChem:1056571
Property Insights of RefChem:1056571
The XLogP value of 4.0661 indicates that RefChem:1056571 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.39 Ų indicates high polarity, suggesting RefChem:1056571 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056571 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056571?
The CAS number of RefChem:1056571 is 67931-89-9.
What is the molecular formula of RefChem:1056571?
The molecular formula of RefChem:1056571 is C33H38F6N4O9.
What is the molecular weight of RefChem:1056571?
The molecular weight of RefChem:1056571 is 748.25 g/mol.
Where can I buy RefChem:1056571?
You can request a quote for RefChem:1056571 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056571?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056571 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.