RefChem:1056519
TL;DR: RefChem:1056519 (CAS 82387-52-8) is a chemical compound with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;ethyl 4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carboxylate
Also Known As: 1-Cinnamyl-4-(ethoxycarbonyl)piperazine maleate, Ethyl 4-(3-phenyl-2-propenyl)-1-piperazinecarboxylate (Z)-2-butenedioate (1:1), 1-Piperazinecarboxylic acid, 4-(3-phenyl-2-propenyl)-, ethyl ester, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; ethyl 4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carboxylate, RefChem:1056519
| Molecular Formula | C20H26N2O6 |
|---|---|
| Molecular Weight | 390.18 g/mol |
| LogP | 2.1857 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.17908 |
| Heavy Atoms | 28 |
| Complexity | 663.19617 |
Chemical Identifiers
| CAS Number | 82387-52-8 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C/C=C\C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056519 (CAS 82387-52-8), with molecular formula C20H26N2O6 and molecular weight 390.18 g/mol. IUPAC: (E)-but-2-enedioic acid;ethyl 4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carboxylate.
Chemical Property Profile of RefChem:1056519
Property Insights of RefChem:1056519
The XLogP value of 2.1857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1056519. The TPSA of 107.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1056519. Following Lipinski's Rule of Five, RefChem:1056519 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056519?
The CAS number of RefChem:1056519 is 82387-52-8.
What is the molecular formula of RefChem:1056519?
The molecular formula of RefChem:1056519 is C20H26N2O6.
What is the molecular weight of RefChem:1056519?
The molecular weight of RefChem:1056519 is 390.18 g/mol.
Where can I buy RefChem:1056519?
You can request a quote for RefChem:1056519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056519?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.