Triisobutyl citrate
TL;DR: Triisobutyl citrate (CAS 63133-75-5) is a chemical compound with molecular formula C18H32O7 and molecular weight 360.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-methylpropyl) 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Triisobutyl citrate, Citric acid triisobutyl ester, tris(2-methylpropyl) 2-hydroxypropane-1,2,3-tricarboxylate, Triisobutyl 2-hydroxypropane-1,2,3-tricarboxylate, 1,2,3-tris(2-methylpropyl) 2-hydroxypropane-1,2,3-tricarboxylate
| Molecular Formula | C18H32O7 |
|---|---|
| Molecular Weight | 360.21 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 360.2148 |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 63133-75-5 |
|---|---|
| SMILES | CC(C)COC(=O)CC(CC(=O)OCC(C)C)(C(=O)OCC(C)C)O |
| InChIKey | AGBVGLJAIGBYAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisobutyl citrate (CAS 63133-75-5), with molecular formula C18H32O7 and molecular weight 360.21 g/mol. IUPAC: tris(2-methylpropyl) 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Triisobutyl citrate
Property Insights of Triisobutyl citrate
The XLogP value of 3.0 indicates that Triisobutyl citrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triisobutyl citrate. Following Lipinski's Rule of Five, Triisobutyl citrate 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 Triisobutyl citrate?
The CAS number of Triisobutyl citrate is 63133-75-5.
What is the molecular formula of Triisobutyl citrate?
The molecular formula of Triisobutyl citrate is C18H32O7.
What is the molecular weight of Triisobutyl citrate?
The molecular weight of Triisobutyl citrate is 360.21 g/mol.
Where can I buy Triisobutyl citrate?
You can request a quote for Triisobutyl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisobutyl citrate?
Yes, KEHONG BIO provides custom synthesis services for Triisobutyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.