Methyl 4-oxocyclohexanecarboxylate
TL;DR: Methyl 4-oxocyclohexanecarboxylate (CAS 6957-73-9) 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 4-oxocyclohexane-1-carboxylate
Also Known As: methyl 4-oxocyclohexanecarboxylate, methyl 4-oxocyclohexane-1-carboxylate, DL-Ethylgonendione, METHYL 4-KETOCYCLOHEXANECARBOXYLATE, 4-Oxo-cyclohexanecarboxylic acid methyl ester
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.3 |
| 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 | 164.0 |
Chemical Identifiers
| CAS Number | 6957-73-9 |
|---|---|
| SMILES | COC(=O)C1CCC(=O)CC1 |
| InChIKey | BLYKGTCYDJZLFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-oxocyclohexanecarboxylate (CAS 6957-73-9), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: methyl 4-oxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 4-oxocyclohexanecarboxylate
Property Insights of Methyl 4-oxocyclohexanecarboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxocyclohexanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-oxocyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxocyclohexanecarboxylate 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 Methyl 4-oxocyclohexanecarboxylate?
The CAS number of Methyl 4-oxocyclohexanecarboxylate is 6957-73-9.
What is the molecular formula of Methyl 4-oxocyclohexanecarboxylate?
The molecular formula of Methyl 4-oxocyclohexanecarboxylate is C8H12O3.
What is the molecular weight of Methyl 4-oxocyclohexanecarboxylate?
The molecular weight of Methyl 4-oxocyclohexanecarboxylate is 156.08 g/mol.
Where can I buy Methyl 4-oxocyclohexanecarboxylate?
You can request a quote for Methyl 4-oxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.