RefChem:1056697
TL;DR: RefChem:1056697 (CAS 61897-07-2) is a chemical compound with molecular formula C31H35F3N2O11 and molecular weight 668.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);3-[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]propanoic acid
Also Known As: 1-Piperazinepropanoic acid, 4-(2-(phenyl(3-(trifluoromethyl)phenyl)methoxy)ethyl)-, dimaleate, 1-Piperazinepropionic acid, 4-(2-(phenyl-alpha,alpha,alpha-trifluoro-m-tolylmethoxy)ethyl)-, dimaleate, (E)-but-2-enedioic acid; 3-[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]propanoic acid, RefChem:1056697
| Molecular Formula | C31H35F3N2O11 |
|---|---|
| Molecular Weight | 668.22 g/mol |
| LogP | 3.3273 |
| Topological Polar Surface Area | 202.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 668.2193 |
| Heavy Atoms | 47 |
| Complexity | 1308.2703 |
Chemical Identifiers
| CAS Number | 61897-07-2 |
|---|---|
| SMILES | C1N(CCN(C1)CCOC(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3)CCC(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056697 (CAS 61897-07-2), with molecular formula C31H35F3N2O11 and molecular weight 668.22 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]propanoic acid.
Chemical Property Profile of RefChem:1056697
Property Insights of RefChem:1056697
The XLogP value of 3.3273 indicates that RefChem:1056697 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 202.21 Ų indicates high polarity, suggesting RefChem:1056697 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056697 has 5 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:1056697?
The CAS number of RefChem:1056697 is 61897-07-2.
What is the molecular formula of RefChem:1056697?
The molecular formula of RefChem:1056697 is C31H35F3N2O11.
What is the molecular weight of RefChem:1056697?
The molecular weight of RefChem:1056697 is 668.22 g/mol.
Where can I buy RefChem:1056697?
You can request a quote for RefChem:1056697 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056697?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056697 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.