Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
TL;DR: Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 161265-84-5) is a chemical compound with molecular formula C17H22O7 and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, Diethyl 2-(2-furyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, diethyl 2-(uran-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C17H22O7 |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 1.4456 |
| Topological Polar Surface Area | 103.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.13657 |
| Heavy Atoms | 24 |
| Complexity | 602.4651 |
Chemical Identifiers
| CAS Number | 161265-84-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=CO2 |
Product Overview
Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate (CAS 161265-84-5), with molecular formula C17H22O7 and molecular weight 338.14 g/mol. IUPAC: diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Property Insights of Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
The XLogP value of 1.4456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate. The TPSA of 103.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The CAS number of Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 161265-84-5.
What is the molecular formula of Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular formula of Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is C17H22O7.
What is the molecular weight of Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
The molecular weight of Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate is 338.14 g/mol.
Where can I buy Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
You can request a quote for Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.