Diethyl 2-oxo-1,3-cyclohexanedipropionate
TL;DR: Diethyl 2-oxo-1,3-cyclohexanedipropionate (CAS 4095-03-8) is a chemical compound with molecular formula C16H26O5 and molecular weight 298.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
Also Known As: 2-OXO-1, DIETHYL ESTER, DIETHYL 2-OXO-1,3-CYCLOHEXANEDIPROPIONATE, Diethyl 3,3'-(2-oxocyclohexane-1,3-diyl)dipropanoate, ethyl 3-[3-(2-ethoxycarbonylethyl)-2-oxo-cyclohexyl]propanoate, ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
| Molecular Formula | C16H26O5 |
|---|---|
| Molecular Weight | 298.18 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 298.178 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 4095-03-8 |
|---|---|
| SMILES | CCOC(=O)CCC1CCCC(C1=O)CCC(=O)OCC |
| InChIKey | SXEGZONRXURZQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-oxo-1,3-cyclohexanedipropionate (CAS 4095-03-8), with molecular formula C16H26O5 and molecular weight 298.18 g/mol. IUPAC: ethyl 3-[3-(3-ethoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate.
Chemical Property Profile of Diethyl 2-oxo-1,3-cyclohexanedipropionate
Property Insights of Diethyl 2-oxo-1,3-cyclohexanedipropionate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-oxo-1,3-cyclohexanedipropionate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-oxo-1,3-cyclohexanedipropionate. Following Lipinski's Rule of Five, Diethyl 2-oxo-1,3-cyclohexanedipropionate has 0 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 Diethyl 2-oxo-1,3-cyclohexanedipropionate?
The CAS number of Diethyl 2-oxo-1,3-cyclohexanedipropionate is 4095-03-8.
What is the molecular formula of Diethyl 2-oxo-1,3-cyclohexanedipropionate?
The molecular formula of Diethyl 2-oxo-1,3-cyclohexanedipropionate is C16H26O5.
What is the molecular weight of Diethyl 2-oxo-1,3-cyclohexanedipropionate?
The molecular weight of Diethyl 2-oxo-1,3-cyclohexanedipropionate is 298.18 g/mol.
Where can I buy Diethyl 2-oxo-1,3-cyclohexanedipropionate?
You can request a quote for Diethyl 2-oxo-1,3-cyclohexanedipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-oxo-1,3-cyclohexanedipropionate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-oxo-1,3-cyclohexanedipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.