1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester
TL;DR: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester (CAS 16544-70-0) is a chemical compound with molecular formula C24H44O7 and molecular weight 444.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trihexyl 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: tri-n-hexyl citrate, Citric acid trihexyl ester, trihexyl 2-hydroxypropane-1,2,3-tricarboxylate, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-trihexyl ester
| Molecular Formula | C24H44O7 |
|---|---|
| Molecular Weight | 444.31 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 23 |
| Exact Mass | 444.30872 |
| Heavy Atoms | 31 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 16544-70-0 |
|---|---|
| SMILES | CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)O |
| InChIKey | AMMPRZCMKXDUNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester (CAS 16544-70-0), with molecular formula C24H44O7 and molecular weight 444.31 g/mol. IUPAC: trihexyl 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester
Property Insights of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester
The XLogP value of 6.0 indicates that 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester 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 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester. Following Lipinski's Rule of Five, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester?
The CAS number of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester is 16544-70-0.
What is the molecular formula of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester?
The molecular formula of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester is C24H44O7.
What is the molecular weight of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester?
The molecular weight of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester is 444.31 g/mol.
Where can I buy 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester?
You can request a quote for 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.