Triisopentyl citrate
TL;DR: Triisopentyl citrate (CAS 1793-10-8) is a chemical compound with molecular formula C21H38O7 and molecular weight 402.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Triisopentyl citrate, tris(3-methylbutyl) citrate, Citric acid triisopentyl ester, Citronensaeure-triisopentylester, tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate
| Molecular Formula | C21H38O7 |
|---|---|
| Molecular Weight | 402.26 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 402.26175 |
| Heavy Atoms | 28 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 1793-10-8 |
|---|---|
| SMILES | CC(C)CCOC(=O)CC(CC(=O)OCCC(C)C)(C(=O)OCCC(C)C)O |
| InChIKey | ZGJMYWFCNCIEFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisopentyl citrate (CAS 1793-10-8), with molecular formula C21H38O7 and molecular weight 402.26 g/mol. IUPAC: tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Triisopentyl citrate
Property Insights of Triisopentyl citrate
The XLogP value of 4.0 indicates that Triisopentyl 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 Triisopentyl citrate. Following Lipinski's Rule of Five, Triisopentyl 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 Triisopentyl citrate?
The CAS number of Triisopentyl citrate is 1793-10-8.
What is the molecular formula of Triisopentyl citrate?
The molecular formula of Triisopentyl citrate is C21H38O7.
What is the molecular weight of Triisopentyl citrate?
The molecular weight of Triisopentyl citrate is 402.26 g/mol.
Where can I buy Triisopentyl citrate?
You can request a quote for Triisopentyl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisopentyl citrate?
Yes, KEHONG BIO provides custom synthesis services for Triisopentyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.