Cyclohexanecarboxylic acid, 2-oxo-, methyl ester
TL;DR: Cyclohexanecarboxylic acid, 2-oxo-, methyl ester (CAS 41302-34-5) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxocyclohexane-1-carboxylate
Also Known As: Methyl 2-oxocyclohexanecarboxylate, 2-Methoxycarbonylcyclohexanone, methyl 2-oxocyclohexane-1-carboxylate, 2-Carbomethoxycyclohexanone, Methyl cyclohexanone-2-carboxylate
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 41302-34-5 |
|---|---|
| SMILES | COC(=O)C1CCCCC1=O |
| InChIKey | JEENWEAPRWGXSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanecarboxylic acid, 2-oxo-, methyl ester (CAS 41302-34-5), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: methyl 2-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester
Property Insights of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid, 2-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclohexanecarboxylic acid, 2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 2-oxo-, methyl ester has 0 hydrogen bond donor(s) and 3 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 Cyclohexanecarboxylic acid, 2-oxo-, methyl ester?
The CAS number of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester is 41302-34-5.
What is the molecular formula of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester is C8H12O3.
What is the molecular weight of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 2-oxo-, methyl ester is 156.08 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 2-oxo-, methyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 2-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.