1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester
TL;DR: 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester (CAS 23033-97-8) is a chemical compound with molecular formula C12H16O6 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-4,5-dioxocyclopentane-1,3-dicarboxylate
Also Known As: Diethyl 2-methyl-4,5-dioxo-1,3-cyclopentanecarboxylate, diethyl 2-methyl-4,5-dioxocyclopentane-1,3-dicarboxylate, Diethyl 4,5-dioxo-2-methyl-1,3-cyclopentanedicarboxylate, 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, diethyl ester, 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester
| Molecular Formula | C12H16O6 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.0947 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 23033-97-8 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(=O)C1=O)C(=O)OCC)C |
| InChIKey | NYYROUZBOZYRNE-UHFFFAOYSA-N |
Product Overview
1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester (CAS 23033-97-8), with molecular formula C12H16O6 and molecular weight 256.09 g/mol. IUPAC: diethyl 2-methyl-4,5-dioxocyclopentane-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester
Property Insights of 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclopentanedicarboxylic acid, 2-methyl-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, 2-methyl-4,5-dioxo-, 1,3-diethyl ester. Following Lipinski's Rule of Five, 1,3-Cyclopentanedicarboxylic acid, 2-methyl-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, 2-methyl-4,5-dioxo-, 1,3-diethyl ester?
The CAS number of 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester is 23033-97-8.
What is the molecular formula of 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester?
The molecular formula of 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester is C12H16O6.
What is the molecular weight of 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester?
The molecular weight of 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester is 256.09 g/mol.
Where can I buy 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester?
You can request a quote for 1,3-Cyclopentanedicarboxylic acid, 2-methyl-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, 2-methyl-4,5-dioxo-, 1,3-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclopentanedicarboxylic acid, 2-methyl-4,5-dioxo-, 1,3-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.