4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester
TL;DR: 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester (CAS 56058-30-1) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylate
Also Known As: 1-benzoyl-2,2-dichlorocyclopropane, diethyl 4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylate, Diethyl 4-methyl-4-cyclohexen-6-one-1,3-dicarboxylate, 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, diethyl ester, 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 56058-30-1 |
|---|---|
| SMILES | CCOC(=O)C1CC(C(=O)C=C1C)C(=O)OCC |
| InChIKey | IDMHGIAPITVDPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester (CAS 56058-30-1), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: diethyl 4-methyl-6-oxocyclohex-4-ene-1,3-dicarboxylate.
Chemical Property Profile of 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester
Property Insights of 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester. Following Lipinski's Rule of Five, 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester 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 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester?
The CAS number of 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester is 56058-30-1.
What is the molecular formula of 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester?
The molecular formula of 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester is C13H18O5.
What is the molecular weight of 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester?
The molecular weight of 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester is 254.12 g/mol.
Where can I buy 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester?
You can request a quote for 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyclohexene-1,3-dicarboxylic acid, 4-methyl-6-oxo-, 1,3-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.