RefChem:1056696
TL;DR: RefChem:1056696 (CAS 61897-15-2) is a chemical compound with molecular formula C33H42N2O14 and molecular weight 690.26 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-(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
Also Known As: 4-(2-(Phenyl-3,4,5-trimethoxyphenylmethoxy)ethyl)-1-piperazinepropionic acid dimaleate, 1-Piperazinepropionic acid, 4-(2-(phenyl(3,4,5-trimethoxyphenyl)methoxy)ethyl)-, dimaleate, (E)-but-2-enedioic acid; 3-[4-[2-[phenyl-(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid, 3-(4-{2-[Phenyl-(3,4,5-trimethoxy-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-propionic acid; compound with (Z)-but-2-enedioic acid, RefChem:1056696
| Molecular Formula | C33H42N2O14 |
|---|---|
| Molecular Weight | 690.26 g/mol |
| LogP | 2.3343 |
| Topological Polar Surface Area | 229.9 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 690.2636 |
| Heavy Atoms | 49 |
| Complexity | 1328.7195 |
Chemical Identifiers
| CAS Number | 61897-15-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(OCCN2CCN(CC2)CCC(=O)O)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056696 (CAS 61897-15-2), with molecular formula C33H42N2O14 and molecular weight 690.26 g/mol. IUPAC: bis((E)-but-2-enedioic acid);3-[4-[2-[phenyl-(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid.
Chemical Property Profile of RefChem:1056696
Property Insights of RefChem:1056696
The XLogP value of 2.3343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056696. The TPSA of 229.9 Ų indicates high polarity, suggesting RefChem:1056696 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056696 has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056696?
The CAS number of RefChem:1056696 is 61897-15-2.
What is the molecular formula of RefChem:1056696?
The molecular formula of RefChem:1056696 is C33H42N2O14.
What is the molecular weight of RefChem:1056696?
The molecular weight of RefChem:1056696 is 690.26 g/mol.
Where can I buy RefChem:1056696?
You can request a quote for RefChem:1056696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056696?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.