1,3-Diethyl citrate
TL;DR: 1,3-Diethyl citrate (CAS 101996-63-8) is a chemical compound with molecular formula C10H16O7 and molecular weight 248.0896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethoxy-2-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-oxobutanoic acid
Also Known As: 1,3-Diethyl citrate, Symmetrical diethyl citrate, Sym-Diethyl citrate, Asym-Diethyl Citrate, diethyl hydrogen citrate
Technical Specifications
| Molecular Formula | C10H16O7 |
| Molecular Weight | 248.0896 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 248.0896 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)O)O |
| InChIKey | FWIQGIQRNBVZEN-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Diethyl citrate
Property Insights of 1,3-Diethyl citrate
The XLogP value of -0.3 indicates that 1,3-Diethyl citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl citrate. Following Lipinski's Rule of Five, 1,3-Diethyl citrate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Diethyl citrate?
The CAS number of 1,3-Diethyl citrate is 101996-63-8.
What is the molecular formula of 1,3-Diethyl citrate?
The molecular formula of 1,3-Diethyl citrate is C10H16O7.
What is the molecular weight of 1,3-Diethyl citrate?
The molecular weight of 1,3-Diethyl citrate is 248.0896 g/mol.
Where can I buy 1,3-Diethyl citrate?
You can request a quote for 1,3-Diethyl citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Diethyl citrate?
Yes, CoreyChem provides custom synthesis services for 1,3-Diethyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.