1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester
TL;DR: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester (CAS 787-07-5) 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 2,5-dioxocyclohexane-1,4-dicarboxylate
Also Known As: diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate, Diethyl succinylo succinate, Diethyl succinosuccinate, Diethyl succinylsuccinate, Ethyl succinylsuccinate
| Molecular Formula | C12H16O6 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 0.3 |
| 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 | 337.0 |
Chemical Identifiers
| CAS Number | 787-07-5 |
|---|---|
| SMILES | CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC |
| InChIKey | KSKWGMNRWCYVAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester (CAS 787-07-5), with molecular formula C12H16O6 and molecular weight 256.09 g/mol. IUPAC: diethyl 2,5-dioxocyclohexane-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester
Property Insights of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester. Following Lipinski's Rule of Five, 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-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 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester?
The CAS number of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester is 787-07-5.
What is the molecular formula of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester?
The molecular formula of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester is C12H16O6.
What is the molecular weight of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester?
The molecular weight of 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester is 256.09 g/mol.
Where can I buy 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester?
You can request a quote for 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.