1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate
TL;DR: 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate (CAS 68515-60-6) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate
Also Known As: Tri-(C7-9)-alkyl trimellitate, KST-1B7674, Trimellitic acid, trialkyl(C7-C9) ester, 1,2,4-Benzenetricarboxylic acid, tri-C7-9-branched and linear alkyl esters, Tri-C7-9-branched and linear alkyl trimellitates
| Molecular Formula | C30H48O6 |
|---|---|
| Molecular Weight | 504.35 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 504.3451 |
| Heavy Atoms | 36 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 68515-60-6 |
|---|---|
| SMILES | CCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(C)C(C)CC)C(=O)OCC(CC)CCC |
| InChIKey | CRAVWOZJDIGIAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate (CAS 68515-60-6), with molecular formula C30H48O6 and molecular weight 504.35 g/mol. IUPAC: 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate.
Chemical Property Profile of 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate
Property Insights of 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate
The XLogP value of 9.3 indicates that 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate 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-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate 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-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate?
The CAS number of 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate is 68515-60-6.
What is the molecular formula of 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate?
The molecular formula of 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate is C30H48O6.
What is the molecular weight of 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate?
The molecular weight of 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate is 504.35 g/mol.
Where can I buy 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate?
You can request a quote for 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(2,3-dimethylpentyl) 2-O,4-O-bis(2-ethylpentyl) benzene-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.