1-Propene-1,2,3-tricarboxylic acid, trihexyl ester
TL;DR: 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester (CAS 6630-94-0) is a chemical compound with molecular formula C24H42O6 and molecular weight 426.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trihexyl (Z)-prop-1-ene-1,2,3-tricarboxylate
Also Known As: Tri-n-hexyl aconitate, TRI-N-HEXYLACONITATE, 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester, trihexyl prop-1-ene-1,2,3-tricarboxylate, trihexyl (E)-prop-1-ene-1,2,3-tricarboxylate
| Molecular Formula | C24H42O6 |
|---|---|
| Molecular Weight | 426.30 g/mol |
| LogP | 5.6734 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 426.29813 |
| Heavy Atoms | 30 |
| Complexity | 497.92462 |
Chemical Identifiers
| CAS Number | 6630-94-0 |
|---|---|
| SMILES | CCCCCCOC(=O)C/C(=C/C(=O)OCCCCCC)/C(=O)OCCCCCC |
Product Overview
1-Propene-1,2,3-tricarboxylic acid, trihexyl ester (CAS 6630-94-0), with molecular formula C24H42O6 and molecular weight 426.30 g/mol. IUPAC: trihexyl (Z)-prop-1-ene-1,2,3-tricarboxylate.
Chemical Property Profile of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester
Property Insights of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester
The XLogP value of 5.6734 indicates that 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester. Following Lipinski's Rule of Five, 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester?
The CAS number of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester is 6630-94-0.
What is the molecular formula of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester?
The molecular formula of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester is C24H42O6.
What is the molecular weight of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester?
The molecular weight of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester is 426.30 g/mol.
Where can I buy 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester?
You can request a quote for 1-Propene-1,2,3-tricarboxylic acid, 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-Propene-1,2,3-tricarboxylic acid, trihexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.