Acetyl Triethyl Citrate
TL;DR: Acetyl Triethyl Citrate (CAS 77-89-4) is a chemical compound with molecular formula C14H22O8 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: Acetyl triethyl citrate, Acetyltriethyl citrate, Triethyl O-acetylcitrate, Citroflex A 2, ATEC
| Molecular Formula | C14H22O8 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 318.13147 |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
| Melting Point | -40 °C |
| Boiling Point | 137 °C @760 [mm Hg] |
| Density | 1.135 @ 20°C |
| Vapor Pressure | 0.01 [mm Hg] @20 °C |
Chemical Identifiers
| CAS Number | 77-89-4 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C |
| InChIKey | WEAPVABOECTMGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetyl Triethyl Citrate (CAS 77-89-4), with molecular formula C14H22O8 and molecular weight 318.13 g/mol. IUPAC: triethyl 2-acetyloxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Acetyl Triethyl Citrate
Property Insights of Acetyl Triethyl Citrate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl Triethyl Citrate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyl Triethyl Citrate. Following Lipinski's Rule of Five, Acetyl Triethyl Citrate has 0 hydrogen bond donor(s) and 8 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 Acetyl Triethyl Citrate?
The CAS number of Acetyl Triethyl Citrate is 77-89-4.
What is the molecular formula of Acetyl Triethyl Citrate?
The molecular formula of Acetyl Triethyl Citrate is C14H22O8.
What is the molecular weight of Acetyl Triethyl Citrate?
The molecular weight of Acetyl Triethyl Citrate is 318.13 g/mol.
Where can I buy Acetyl Triethyl Citrate?
You can request a quote for Acetyl Triethyl Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl Triethyl Citrate?
Yes, KEHONG BIO provides custom synthesis services for Acetyl Triethyl Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.