(E)-2-(2-cyclohexylethyl)but-2-enedioic acid
TL;DR: (E)-2-(2-cyclohexylethyl)but-2-enedioic acid (CAS 5469-50-1) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(2-cyclohexylethyl)but-2-enedioic acid
Also Known As: (2-cyclohexyl-ethyl)-fumaric acid, (E)-2-(2-cyclohexylethyl)but-2-enedioic acid, (2E)-2-(2-Cyclohexylethyl)but-2-enedioic acid
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 2.4425 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 287.3939 |
Chemical Identifiers
| CAS Number | 5469-50-1 |
|---|---|
| SMILES | C1CCC(CC1)CC/C(=C\C(=O)O)/C(=O)O |
Product Overview
(E)-2-(2-cyclohexylethyl)but-2-enedioic acid (CAS 5469-50-1), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: (E)-2-(2-cyclohexylethyl)but-2-enedioic acid.
Chemical Property Profile of (E)-2-(2-cyclohexylethyl)but-2-enedioic acid
Property Insights of (E)-2-(2-cyclohexylethyl)but-2-enedioic acid
The XLogP value of 2.4425 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(2-cyclohexylethyl)but-2-enedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(2-cyclohexylethyl)but-2-enedioic acid. Following Lipinski's Rule of Five, (E)-2-(2-cyclohexylethyl)but-2-enedioic acid has 2 hydrogen bond donor(s) and 2 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 (E)-2-(2-cyclohexylethyl)but-2-enedioic acid?
The CAS number of (E)-2-(2-cyclohexylethyl)but-2-enedioic acid is 5469-50-1.
What is the molecular formula of (E)-2-(2-cyclohexylethyl)but-2-enedioic acid?
The molecular formula of (E)-2-(2-cyclohexylethyl)but-2-enedioic acid is C12H18O4.
What is the molecular weight of (E)-2-(2-cyclohexylethyl)but-2-enedioic acid?
The molecular weight of (E)-2-(2-cyclohexylethyl)but-2-enedioic acid is 226.12 g/mol.
Where can I buy (E)-2-(2-cyclohexylethyl)but-2-enedioic acid?
You can request a quote for (E)-2-(2-cyclohexylethyl)but-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(2-cyclohexylethyl)but-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-cyclohexylethyl)but-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.