RefChem:1095888
TL;DR: RefChem:1095888 (CAS 65274-68-2) is a chemical compound with molecular formula C32H36F3N5O11 and molecular weight 723.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);(4-nitrophenyl)-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone
Also Known As: Piperazine, 1-(4-nitrobenzoyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2), (4-NITROPHENYL)-[4-[2-[4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL]ETHYL]PIPERAZIN-1-YL]METHANONE MALEATE, (E)-but-2-enedioic acid; (4-nitrophenyl)-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone, RefChem:1095888
| Molecular Formula | C32H36F3N5O11 |
|---|---|
| Molecular Weight | 723.24 g/mol |
| LogP | 2.6172 |
| Topological Polar Surface Area | 222.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 723.2363 |
| Heavy Atoms | 51 |
| Complexity | 1517.8573 |
Chemical Identifiers
| CAS Number | 65274-68-2 |
|---|---|
| SMILES | C1N(CCN(C1)C2=CC=CC(=C2)C(F)(F)F)CCN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095888 (CAS 65274-68-2), with molecular formula C32H36F3N5O11 and molecular weight 723.24 g/mol. IUPAC: bis((E)-but-2-enedioic acid);(4-nitrophenyl)-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone.
Chemical Property Profile of RefChem:1095888
Property Insights of RefChem:1095888
The XLogP value of 2.6172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095888. The TPSA of 222.37 Ų indicates high polarity, suggesting RefChem:1095888 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095888 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095888?
The CAS number of RefChem:1095888 is 65274-68-2.
What is the molecular formula of RefChem:1095888?
The molecular formula of RefChem:1095888 is C32H36F3N5O11.
What is the molecular weight of RefChem:1095888?
The molecular weight of RefChem:1095888 is 723.24 g/mol.
Where can I buy RefChem:1095888?
You can request a quote for RefChem:1095888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095888?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.