1,2-Diethyl 1,2-cyclohexanedicarboxylate
TL;DR: 1,2-Diethyl 1,2-cyclohexanedicarboxylate (CAS 10138-59-7) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl cyclohexane-1,2-dicarboxylate
Also Known As: Diethyl cyclohexane-1,2-dicarboxylate, Diethyl hexahydrophthalate, 1, diethyl ester, DIETHYL PHTHALATE, 1,2-Cyclohexanedicarboxylic Acid Diethyl Ester
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O4 |
| Molecular Weight | 228.13615 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 Da |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
| SMILES | CCOC(=O)C1CCCCC1C(=O)OCC |
| InChIKey | ZTUZDYWYNQDJKR-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Diethyl 1,2-cyclohexanedicarboxylate
Property Insights of 1,2-Diethyl 1,2-cyclohexanedicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Diethyl 1,2-cyclohexanedicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Diethyl 1,2-cyclohexanedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diethyl 1,2-cyclohexanedicarboxylate 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
What is the CAS number of 1,2-Diethyl 1,2-cyclohexanedicarboxylate?
The CAS number of 1,2-Diethyl 1,2-cyclohexanedicarboxylate is 10138-59-7.
What is the molecular formula of 1,2-Diethyl 1,2-cyclohexanedicarboxylate?
The molecular formula of 1,2-Diethyl 1,2-cyclohexanedicarboxylate is C12H20O4.
What is the molecular weight of 1,2-Diethyl 1,2-cyclohexanedicarboxylate?
The molecular weight of 1,2-Diethyl 1,2-cyclohexanedicarboxylate is 228.13615 g/mol.
Where can I buy 1,2-Diethyl 1,2-cyclohexanedicarboxylate?
You can request a quote for 1,2-Diethyl 1,2-cyclohexanedicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Diethyl 1,2-cyclohexanedicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1,2-Diethyl 1,2-cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.