Monoethyl citrate
TL;DR: Monoethyl citrate (CAS 4552-00-5) is a chemical compound with molecular formula C8H12O7 and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid
Also Known As: 1-Ethyl citrate, monoethyl citrate, Ethyl citrate, (+/-)-1-Ethyl citrate, Citric acid, 1-ethyl ester
| Molecular Formula | C8H12O7 |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 220.0583 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 4552-00-5 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)O)(C(=O)O)O |
| InChIKey | OMPIYDSYGYKWSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoethyl citrate (CAS 4552-00-5), with molecular formula C8H12O7 and molecular weight 220.06 g/mol. IUPAC: 2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid.
Chemical Property Profile of Monoethyl citrate
Property Insights of Monoethyl citrate
The XLogP value of -1.0 indicates that Monoethyl citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoethyl citrate. Following Lipinski's Rule of Five, Monoethyl citrate has 3 hydrogen bond donor(s) and 7 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 Monoethyl citrate?
The CAS number of Monoethyl citrate is 4552-00-5.
What is the molecular formula of Monoethyl citrate?
The molecular formula of Monoethyl citrate is C8H12O7.
What is the molecular weight of Monoethyl citrate?
The molecular weight of Monoethyl citrate is 220.06 g/mol.
Where can I buy Monoethyl citrate?
You can request a quote for Monoethyl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoethyl citrate?
Yes, KEHONG BIO provides custom synthesis services for Monoethyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.