Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate
TL;DR: Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate (CAS 893768-97-3) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate
Also Known As: ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate, A4086/0174177, ethyl 6-(2-furyl)-4-methyl-2-oxocyclohex-3-enecarboxylate, Ethyl 6-(2-furanyl)-4-methyl-2-oxo-3-cyclohexene-1-carboxylate
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.4616 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 469.99326 |
Chemical Identifiers
| CAS Number | 893768-97-3 |
|---|---|
| SMILES | CCOC(=O)C1C(CC(=CC1=O)C)C2=CC=CO2 |
Product Overview
Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate (CAS 893768-97-3), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate
Property Insights of Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate
The XLogP value of 2.4616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate. With a topological polar surface area (TPSA) of 56.51 Ų, Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-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 Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The CAS number of Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate is 893768-97-3.
What is the molecular formula of Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular formula of Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate is C14H16O4.
What is the molecular weight of Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate?
The molecular weight of Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate is 248.10 g/mol.
Where can I buy Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate?
You can request a quote for Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(furan-2-yl)-4-methyl-2-oxocyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.