Diethyl cyclohex-4-ene-1,2-dicarboxylate
TL;DR: Diethyl cyclohex-4-ene-1,2-dicarboxylate (CAS 13043-60-2) 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.
diethyl cyclohex-4-ene-1,2-dicarboxylate
Also Known As: diethyl cyclohex-4-ene-1,2-dicarboxylate, diethyl 1,2,3,6-tetrahydrophthalate, Diethyl trans-4-Cyclohexene-1,2-dicarboxylate, 1,2-diethyl cyclohex-4-ene-1,2-dicarboxylate, Diethyl cis-4-Cyclohexene-1,2-dicarboxylate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 13043-60-2 |
|---|---|
| SMILES | CCOC(=O)C1CC=CCC1C(=O)OCC |
| InChIKey | OWVOHDKOANTMJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl cyclohex-4-ene-1,2-dicarboxylate (CAS 13043-60-2), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: diethyl cyclohex-4-ene-1,2-dicarboxylate.
Chemical Property Profile of Diethyl cyclohex-4-ene-1,2-dicarboxylate
Property Insights of Diethyl cyclohex-4-ene-1,2-dicarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl cyclohex-4-ene-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl cyclohex-4-ene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl cyclohex-4-ene-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 Diethyl cyclohex-4-ene-1,2-dicarboxylate?
The CAS number of Diethyl cyclohex-4-ene-1,2-dicarboxylate is 13043-60-2.
What is the molecular formula of Diethyl cyclohex-4-ene-1,2-dicarboxylate?
The molecular formula of Diethyl cyclohex-4-ene-1,2-dicarboxylate is C12H18O4.
What is the molecular weight of Diethyl cyclohex-4-ene-1,2-dicarboxylate?
The molecular weight of Diethyl cyclohex-4-ene-1,2-dicarboxylate is 226.12 g/mol.
Where can I buy Diethyl cyclohex-4-ene-1,2-dicarboxylate?
You can request a quote for Diethyl cyclohex-4-ene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl cyclohex-4-ene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl cyclohex-4-ene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.