RefChem:1056682
TL;DR: RefChem:1056682 (CAS 28131-68-2) is a chemical compound with molecular formula C36H50N2O12 and molecular weight 702.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);1-(2,4-dimethoxyphenyl)-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-ol
Also Known As: alpha-(2,4-Dimethoxyphenyl-4-(beta-(isopentyloxy)phenethyl))-1-piperazinepropanol maleate, 1-Piperazinepropanol, alpha-(2,4-dimethoxyphenyl-4-(beta-(isopentyloxy)phenethyl))-, maleate (1:2), (Z)-but-2-enedioic acid; 1-(2,4-dimethoxyphenyl)-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-ol, RefChem:1056682
| Molecular Formula | C36H50N2O12 |
|---|---|
| Molecular Weight | 702.34 g/mol |
| LogP | 3.9725 |
| Topological Polar Surface Area | 203.6 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 702.33636 |
| Heavy Atoms | 50 |
| Complexity | 1306.4042 |
Chemical Identifiers
| CAS Number | 28131-68-2 |
|---|---|
| SMILES | CC(CCOC(C1=CC=CC=C1)CN2CCN(CC2)CCC(O)C3=C(C=C(C=C3)OC)OC)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1056682 (CAS 28131-68-2), with molecular formula C36H50N2O12 and molecular weight 702.34 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);1-(2,4-dimethoxyphenyl)-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-ol.
Chemical Property Profile of RefChem:1056682
Property Insights of RefChem:1056682
The XLogP value of 3.9725 indicates that RefChem:1056682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 203.6 Ų indicates high polarity, suggesting RefChem:1056682 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056682 has 5 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:1056682?
The CAS number of RefChem:1056682 is 28131-68-2.
What is the molecular formula of RefChem:1056682?
The molecular formula of RefChem:1056682 is C36H50N2O12.
What is the molecular weight of RefChem:1056682?
The molecular weight of RefChem:1056682 is 702.34 g/mol.
Where can I buy RefChem:1056682?
You can request a quote for RefChem:1056682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056682?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.