Diethyl methyl(3-oxocyclohexyl)malonate
TL;DR: Diethyl methyl(3-oxocyclohexyl)malonate (CAS 52263-19-1) is a chemical compound with molecular formula C14H22O5 and molecular weight 270.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-2-(3-oxocyclohexyl)propanedioate
Also Known As: Diethyl methyl(3-oxocyclohexyl)malonate, Diethyl 2-methyl-2-(3-oxocyclohexyl)malonate, diethyl 2-methyl-2-(3-oxocyclohexyl)propanedioate, Diethyl2-methyl-2-(3-oxocyclohexyl)malonate, Diethyl methyl(3-oxocyclohexyl)propanedioate
| Molecular Formula | C14H22O5 |
|---|---|
| Molecular Weight | 270.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.14673 |
| Heavy Atoms | 19 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 52263-19-1 |
|---|---|
| SMILES | CCOC(=O)C(C)(C1CCCC(=O)C1)C(=O)OCC |
| InChIKey | KPEKBXBXLPRFIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl methyl(3-oxocyclohexyl)malonate (CAS 52263-19-1), with molecular formula C14H22O5 and molecular weight 270.15 g/mol. IUPAC: diethyl 2-methyl-2-(3-oxocyclohexyl)propanedioate.
Chemical Property Profile of Diethyl methyl(3-oxocyclohexyl)malonate
Property Insights of Diethyl methyl(3-oxocyclohexyl)malonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl methyl(3-oxocyclohexyl)malonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl methyl(3-oxocyclohexyl)malonate. Following Lipinski's Rule of Five, Diethyl methyl(3-oxocyclohexyl)malonate 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 methyl(3-oxocyclohexyl)malonate?
The CAS number of Diethyl methyl(3-oxocyclohexyl)malonate is 52263-19-1.
What is the molecular formula of Diethyl methyl(3-oxocyclohexyl)malonate?
The molecular formula of Diethyl methyl(3-oxocyclohexyl)malonate is C14H22O5.
What is the molecular weight of Diethyl methyl(3-oxocyclohexyl)malonate?
The molecular weight of Diethyl methyl(3-oxocyclohexyl)malonate is 270.15 g/mol.
Where can I buy Diethyl methyl(3-oxocyclohexyl)malonate?
You can request a quote for Diethyl methyl(3-oxocyclohexyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl methyl(3-oxocyclohexyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl methyl(3-oxocyclohexyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.