柠檬酸乙酰基三丁酯
TL;DR: 柠檬酸乙酰基三丁酯 (CAS 77-90-7) is a chemical compound with molecular formula C20H34O8 and molecular weight 402.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬酸乙酰基三丁酯
tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
Also Known As: ACETYL TRIBUTYL CITRATE, Acetyltributyl citrate, Citroflex A, Tributyl acetylcitrate, Blo-trol
| Molecular Formula | C20H34O8 |
|---|---|
| Molecular Weight | 402.23 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 402.22537 |
| Heavy Atoms | 28 |
| Complexity | 476.0 |
| Melting Point | -80 °C |
| Boiling Point | 331 °C at 732 mm Hg |
| Density | 1.046 at 25 °C |
| Solubility | In water, 5 mg/L, temp not specified |
| Flash Point | 204 °C |
| Vapor Pressure | 0.00000455 [mmHg] |
| Refractive Index | = 1.4408 at 25 °C |
Chemical Identifiers
| CAS Number | 77-90-7 |
|---|---|
| SMILES | CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C |
| InChIKey | QZCLKYGREBVARF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柠檬酸乙酰基三丁酯 (CAS 77-90-7), with molecular formula C20H34O8 and molecular weight 402.23 g/mol. IUPAC: tributyl 2-acetyloxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of 柠檬酸乙酰基三丁酯
Property Insights of 柠檬酸乙酰基三丁酯
The XLogP value of 3.3 indicates that 柠檬酸乙酰基三丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 柠檬酸乙酰基三丁酯. Following Lipinski's Rule of Five, 柠檬酸乙酰基三丁酯 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 柠檬酸乙酰基三丁酯?
The CAS number of 柠檬酸乙酰基三丁酯 is 77-90-7.
What is the molecular formula of 柠檬酸乙酰基三丁酯?
The molecular formula of 柠檬酸乙酰基三丁酯 is C20H34O8.
What is the molecular weight of 柠檬酸乙酰基三丁酯?
The molecular weight of 柠檬酸乙酰基三丁酯 is 402.23 g/mol.
Where can I buy 柠檬酸乙酰基三丁酯?
You can request a quote for 柠檬酸乙酰基三丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬酸乙酰基三丁酯?
Yes, KEHONG BIO provides custom synthesis services for 柠檬酸乙酰基三丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.