Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate
TL;DR: Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate (CAS 52452-25-2) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-methoxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate, methyl 4-methoxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate, 4-Methoxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylic acid methyl ester, 3-Cyclohexene-1-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester, Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexene-1-carboxylate #
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 52452-25-2 |
|---|---|
| SMILES | CC1CC(=CC(=O)C1C(=O)OC)OC |
| InChIKey | BIBYTJJVVBGZMA-UHFFFAOYSA-N |
Product Overview
Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate (CAS 52452-25-2), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: methyl 4-methoxy-6-methyl-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate
Property Insights of Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate has 0 hydrogen bond donor(s) and 4 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-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate?
The CAS number of Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate is 52452-25-2.
What is the molecular formula of Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate?
The molecular formula of Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate is C10H14O4.
What is the molecular weight of Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate?
The molecular weight of Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate is 198.09 g/mol.
Where can I buy Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate?
You can request a quote for Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methoxy-6-methyl-2-oxo-3-cyclohexenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.