Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate
TL;DR: Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate (CAS 63468-10-0) is a chemical compound with molecular formula C25H38O6 and molecular weight 434.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(2-ethylhexoxycarbonyl)benzoic acid
Also Known As: Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate, 2,5-bis(2-ethylhexoxycarbonyl)benzoic acid, 2,5-bis{[(2-ethylhexyl)oxy]carbonyl}benzoic acid, 2,5-Bis(((2-ethylhexyl)oxy)carbonyl)benzoic acid, 1,2,4-Benzenetricarboxylic acid hydrogen 1,4-bis(2-ethylhexyl) ester
| Molecular Formula | C25H38O6 |
|---|---|
| Molecular Weight | 434.27 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 434.26685 |
| Heavy Atoms | 31 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 63468-10-0 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)O |
| InChIKey | CFCHQZCFLSDQKQ-UHFFFAOYSA-N |
Product Overview
Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate (CAS 63468-10-0), with molecular formula C25H38O6 and molecular weight 434.27 g/mol. IUPAC: 2,5-bis(2-ethylhexoxycarbonyl)benzoic acid.
Chemical Property Profile of Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate
Property Insights of Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate
The XLogP value of 7.0 indicates that Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate 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 Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate 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 Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate?
The CAS number of Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate is 63468-10-0.
What is the molecular formula of Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate?
The molecular formula of Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate is C25H38O6.
What is the molecular weight of Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate?
The molecular weight of Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate is 434.27 g/mol.
Where can I buy Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate?
You can request a quote for Bis(2-ethylhexyl) hydrogen 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 Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.