RefChem:1095627
TL;DR: RefChem:1095627 (CAS 64966-17-2) is a chemical compound with molecular formula C48H66N4O22 and molecular weight 1050.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrakis((E)-but-2-enedioic acid);1-[(2,3,4-trimethoxyphenyl)methyl]-4-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]piperazine
Also Known As: Piperazine, 1,1'-(1,4-butanediyl)bis(4-((2,3,4-trimethoxyphenyl)methyl)-, (Z)-2-butenedioate (1:4), (E)-but-2-enedioic acid; 1-[(2,3,4-trimethoxyphenyl)methyl]-4-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]piperazine, RefChem:1095627
| Molecular Formula | C48H66N4O22 |
|---|---|
| Molecular Weight | 1050.42 g/mol |
| LogP | 2.301 |
| Topological Polar Surface Area | 366.74 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Exact Mass | 1050.4169 |
| Heavy Atoms | 74 |
| Complexity | 1958.8741 |
Chemical Identifiers
| CAS Number | 64966-17-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)CN2CCN(CC2)CCCCN3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC)OC)OC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095627 (CAS 64966-17-2), with molecular formula C48H66N4O22 and molecular weight 1050.42 g/mol. IUPAC: tetrakis((E)-but-2-enedioic acid);1-[(2,3,4-trimethoxyphenyl)methyl]-4-[4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butyl]piperazine.
Chemical Property Profile of RefChem:1095627
Property Insights of RefChem:1095627
The XLogP value of 2.301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1095627. The TPSA of 366.74 Ų indicates high polarity, suggesting RefChem:1095627 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095627 has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095627?
The CAS number of RefChem:1095627 is 64966-17-2.
What is the molecular formula of RefChem:1095627?
The molecular formula of RefChem:1095627 is C48H66N4O22.
What is the molecular weight of RefChem:1095627?
The molecular weight of RefChem:1095627 is 1050.42 g/mol.
Where can I buy RefChem:1095627?
You can request a quote for RefChem:1095627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095627?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.