檸檬酸三乙酯
TL;DR: 檸檬酸三乙酯 (CAS 77-93-0) is a chemical compound with molecular formula C12H20O7 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
檸檬酸三乙酯
triethyl 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: TRIETHYL CITRATE, Ethyl citrate, Eudraflex, Citroflex 2, Hydragen CAT
| Molecular Formula | C12H20O7 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 276.1209 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
| Melting Point | -55 °C |
| Boiling Point | 294 °C |
| Density | 1.1369 g/cu cm at 20 °C |
| Solubility | In water, 6.50X10+4 mg/L at room temp |
| Flash Point | 155 °C (155.0 °C) - closed cup |
| Vapor Pressure | 0.00189 [mmHg] |
| Refractive Index | [n]D/20: 1,439-1,441 |
Chemical Identifiers
| CAS Number | 77-93-0 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O |
| InChIKey | DOOTYTYQINUNNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
檸檬酸三乙酯 (CAS 77-93-0), with molecular formula C12H20O7 and molecular weight 276.12 g/mol. IUPAC: triethyl 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of 檸檬酸三乙酯
Property Insights of 檸檬酸三乙酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 檸檬酸三乙酯. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 檸檬酸三乙酯. Following Lipinski's Rule of Five, 檸檬酸三乙酯 has 1 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 檸檬酸三乙酯?
The CAS number of 檸檬酸三乙酯 is 77-93-0.
What is the molecular formula of 檸檬酸三乙酯?
The molecular formula of 檸檬酸三乙酯 is C12H20O7.
What is the molecular weight of 檸檬酸三乙酯?
The molecular weight of 檸檬酸三乙酯 is 276.12 g/mol.
Where can I buy 檸檬酸三乙酯?
You can request a quote for 檸檬酸三乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 檸檬酸三乙酯?
Yes, KEHONG BIO provides custom synthesis services for 檸檬酸三乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.