Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate
TL;DR: Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate (CAS 91029-43-5) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate
Also Known As: methyl (2Z)-2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexan, methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexanecarboxylate, methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 91029-43-5 |
|---|---|
| SMILES | CC1(CCCCC1=CC(=O)OC)C(=O)OC |
| InChIKey | OTDLYYXSXCTALE-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate (CAS 91029-43-5), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate
Property Insights of Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate 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 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate?
The CAS number of Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate is 91029-43-5.
What is the molecular formula of Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate?
The molecular formula of Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate is C12H18O4.
What is the molecular weight of Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate?
The molecular weight of Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate is 226.12 g/mol.
Where can I buy Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate?
You can request a quote for Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-methoxy-2-oxoethylidene)-1-methylcyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.