Diethyl cyclohexane-1,1-dicarboxylate
TL;DR: Diethyl cyclohexane-1,1-dicarboxylate (CAS 13010-46-3) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl cyclohexane-1,1-dicarboxylate
Also Known As: diethyl cyclohexane-1,1-dicarboxylate, Diethyl 1,1-cyclohexanedicarboxylate, 1,1-Cyclohexanedicarboxylic Acid Diethyl Ester, 4-Bromo-3-methoxybenzonitrile, 1,1-diethyl cyclohexane-1,1-dicarboxylate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 13010-46-3 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCC1)C(=O)OCC |
| InChIKey | MLHUKQNAQSRVKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl cyclohexane-1,1-dicarboxylate (CAS 13010-46-3), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: diethyl cyclohexane-1,1-dicarboxylate.
Chemical Property Profile of Diethyl cyclohexane-1,1-dicarboxylate
Property Insights of Diethyl cyclohexane-1,1-dicarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl cyclohexane-1,1-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl cyclohexane-1,1-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl cyclohexane-1,1-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 cyclohexane-1,1-dicarboxylate?
The CAS number of Diethyl cyclohexane-1,1-dicarboxylate is 13010-46-3.
What is the molecular formula of Diethyl cyclohexane-1,1-dicarboxylate?
The molecular formula of Diethyl cyclohexane-1,1-dicarboxylate is C12H20O4.
What is the molecular weight of Diethyl cyclohexane-1,1-dicarboxylate?
The molecular weight of Diethyl cyclohexane-1,1-dicarboxylate is 228.14 g/mol.
Where can I buy Diethyl cyclohexane-1,1-dicarboxylate?
You can request a quote for Diethyl cyclohexane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl cyclohexane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl cyclohexane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.