1,2,4-Benzenetricarboxylic acid, decyl octyl ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, decyl octyl ester (CAS 67989-23-5) is a chemical compound with molecular formula C27H42O6 and molecular weight 462.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-decoxycarbonyl-5-octoxycarbonylbenzoic acid
Also Known As: n-octyl-n-decyl trimellitate, 2-decoxycarbonyl-5-octoxycarbonylbenzoic acid, tri-n-octyl-n-decyl trimellitate, TRI(N-OCTYL-N-DECYL) TRIMELLITATE, 1,2,4-Benzenetricarboxylic acid, decyl octyl ester
| Molecular Formula | C27H42O6 |
|---|---|
| Molecular Weight | 462.30 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 462.29813 |
| Heavy Atoms | 33 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 67989-23-5 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)OCCCCCCCC)C(=O)O |
| InChIKey | YCAJENWBJXXARG-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzenetricarboxylic acid, decyl octyl ester (CAS 67989-23-5), with molecular formula C27H42O6 and molecular weight 462.30 g/mol. IUPAC: 2-decoxycarbonyl-5-octoxycarbonylbenzoic acid.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester
The XLogP value of 9.1 indicates that 1,2,4-Benzenetricarboxylic acid, decyl octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetricarboxylic acid, decyl octyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, decyl octyl ester has 1 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 1,2,4-Benzenetricarboxylic acid, decyl octyl ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester is 67989-23-5.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester is C27H42O6.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, decyl octyl ester is 462.30 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, decyl octyl ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, decyl octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzenetricarboxylic acid, decyl octyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, decyl octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.