RefChem:1095875
TL;DR: RefChem:1095875 (CAS 65274-66-0) is a chemical compound with molecular formula C32H36ClF3N4O9 and molecular weight 712.21 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-chlorophenyl)-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone
Also Known As: Piperazine, 1-(4-chlorobenzoyl)-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; (4-chlorophenyl)-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone, RefChem:1095875
| Molecular Formula | C32H36ClF3N4O9 |
|---|---|
| Molecular Weight | 712.21 g/mol |
| LogP | 3.3624 |
| Topological Polar Surface Area | 179.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 712.2123 |
| Heavy Atoms | 49 |
| Complexity | 1421.4376 |
Chemical Identifiers
| CAS Number | 65274-66-0 |
|---|---|
| SMILES | C1N(CCN(C1)C2=CC=CC(=C2)C(F)(F)F)CCN3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095875 (CAS 65274-66-0), with molecular formula C32H36ClF3N4O9 and molecular weight 712.21 g/mol. IUPAC: bis((E)-but-2-enedioic acid);(4-chlorophenyl)-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone.
Chemical Property Profile of RefChem:1095875
Property Insights of RefChem:1095875
The XLogP value of 3.3624 indicates that RefChem:1095875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.23 Ų indicates high polarity, suggesting RefChem:1095875 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095875 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095875?
The CAS number of RefChem:1095875 is 65274-66-0.
What is the molecular formula of RefChem:1095875?
The molecular formula of RefChem:1095875 is C32H36ClF3N4O9.
What is the molecular weight of RefChem:1095875?
The molecular weight of RefChem:1095875 is 712.21 g/mol.
Where can I buy RefChem:1095875?
You can request a quote for RefChem:1095875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095875?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.