1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester
TL;DR: 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester (CAS 10088-87-6) is a chemical compound with molecular formula C11H14O6 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4,5-dioxocyclopentane-1,3-dicarboxylate
Also Known As: diethyl 4,5-dioxocyclopentane-1,3-dicarboxylate, 1, 4,5-dioxo-, diethyl ester, 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, diethyl ester, Diethyl cyclopentane-4,5-dione-1,3-dicarboxylate, Diethyl cyclopentane-4,3-dicarboxylate
| Molecular Formula | C11H14O6 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.07904 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 10088-87-6 |
|---|---|
| SMILES | CCOC(=O)C1CC(C(=O)C1=O)C(=O)OCC |
| InChIKey | PTZPVYPRNQVKGV-UHFFFAOYSA-N |
Product Overview
1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester (CAS 10088-87-6), with molecular formula C11H14O6 and molecular weight 242.08 g/mol. IUPAC: diethyl 4,5-dioxocyclopentane-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester
Property Insights of 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester. Following Lipinski's Rule of Five, 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester has 0 hydrogen bond donor(s) and 6 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 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester?
The CAS number of 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester is 10088-87-6.
What is the molecular formula of 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester?
The molecular formula of 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester is C11H14O6.
What is the molecular weight of 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester?
The molecular weight of 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester is 242.08 g/mol.
Where can I buy 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester?
You can request a quote for 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclopentanedicarboxylic acid, 4,5-dioxo-, 1,3-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.