柠檬酸乙酸酯
TL;DR: 柠檬酸乙酸酯 (CAS 17140-33-9) is a chemical compound with molecular formula C8H10O8 and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬酸乙酸酯
2-acetyloxypropane-1,2,3-tricarboxylic acid
Also Known As: acetylcitric acid, CITRIC ACID ACETATE, Citric acid, acetate, 2-(Acetyloxy)propane-1,2,3-tricarboxylic acid, 2-acetyloxypropane-1,2,3-tricarboxylic acid
| Molecular Formula | C8H10O8 |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 234.03757 |
| Heavy Atoms | 16 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 17140-33-9 |
|---|---|
| SMILES | CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O |
| InChIKey | VXRUADVCBZMFSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柠檬酸乙酸酯 (CAS 17140-33-9), with molecular formula C8H10O8 and molecular weight 234.04 g/mol. IUPAC: 2-acetyloxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of 柠檬酸乙酸酯
Property Insights of 柠檬酸乙酸酯
The XLogP value of -1.4 indicates that 柠檬酸乙酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 柠檬酸乙酸酯. Following Lipinski's Rule of Five, 柠檬酸乙酸酯 has 3 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 柠檬酸乙酸酯?
The CAS number of 柠檬酸乙酸酯 is 17140-33-9.
What is the molecular formula of 柠檬酸乙酸酯?
The molecular formula of 柠檬酸乙酸酯 is C8H10O8.
What is the molecular weight of 柠檬酸乙酸酯?
The molecular weight of 柠檬酸乙酸酯 is 234.04 g/mol.
Where can I buy 柠檬酸乙酸酯?
You can request a quote for 柠檬酸乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬酸乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 柠檬酸乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.