RefChem:1056458
TL;DR: RefChem:1056458 (CAS 65274-50-2) is a chemical compound with molecular formula C31H43F3N4O10 and molecular weight 688.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);ethyl 2-methyl-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propanoate
Also Known As: 1-Piperazineacetic acid, alpha,alpha-dimethyl-4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-, ethyl ester, (E)-2-butenedioate (1:2), (E)-but-2-enedioic acid; ethyl 2-methyl-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propanoate, ETHYL 2-METHYL-2-[4-[2-[4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL]ETHYL]PIPERAZIN-1-YL]PROPANOATE MALEATE, RefChem:1056458
| Molecular Formula | C31H43F3N4O10 |
|---|---|
| Molecular Weight | 688.29 g/mol |
| LogP | 2.2103 |
| Topological Polar Surface Area | 188.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 688.29315 |
| Heavy Atoms | 48 |
| Complexity | 1221.3496 |
Chemical Identifiers
| CAS Number | 65274-50-2 |
|---|---|
| SMILES | CCOC(=O)C(N1CCN(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)(C)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056458 (CAS 65274-50-2), with molecular formula C31H43F3N4O10 and molecular weight 688.29 g/mol. IUPAC: bis((E)-but-2-enedioic acid);ethyl 2-methyl-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propanoate.
Chemical Property Profile of RefChem:1056458
Property Insights of RefChem:1056458
The XLogP value of 2.2103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056458. The TPSA of 188.46 Ų indicates high polarity, suggesting RefChem:1056458 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056458 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:1056458?
The CAS number of RefChem:1056458 is 65274-50-2.
What is the molecular formula of RefChem:1056458?
The molecular formula of RefChem:1056458 is C31H43F3N4O10.
What is the molecular weight of RefChem:1056458?
The molecular weight of RefChem:1056458 is 688.29 g/mol.
Where can I buy RefChem:1056458?
You can request a quote for RefChem:1056458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056458?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.