Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate
TL;DR: Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate (CAS 387359-22-0) is a chemical compound with molecular formula C10H14O3 and molecular weight 182.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-oxocyclohexene-1-carboxylate
Also Known As: ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate, ethyl 2-methyl-4-oxocyclohexene-1-carboxylate, Ethyl 2-methyl-4-oxo-cyclohexene-1-carboxylate, ETHYL 2-METHYL-4-OXOCYCLOHEX-1-ENE-1-CARBOXYLATE, 2-METHYL-4-OXO-CYCLOHEX-1-ENECARBOXYLIC ACID ETHYL ESTER
| Molecular Formula | C10H14O3 |
|---|---|
| Molecular Weight | 182.09 g/mol |
| LogP | 1.619 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0943 |
| Heavy Atoms | 13 |
| Complexity | 263.3434 |
Chemical Identifiers
| CAS Number | 387359-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(CC(=O)CC1)C |
Product Overview
Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate (CAS 387359-22-0), with molecular formula C10H14O3 and molecular weight 182.09 g/mol. IUPAC: ethyl 2-methyl-4-oxocyclohexene-1-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate
Property Insights of Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate
The XLogP value of 1.619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate 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 Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate?
The CAS number of Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate is 387359-22-0.
What is the molecular formula of Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate?
The molecular formula of Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate is C10H14O3.
What is the molecular weight of Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate?
The molecular weight of Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate is 182.09 g/mol.
Where can I buy Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate?
You can request a quote for Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4-oxocyclohex-1-enecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.