2,4,6-Trimethylbenzene-1,3-dicarboxylic acid
TL;DR: 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid (CAS 85190-53-0) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylbenzene-1,3-dicarboxylic acid
Also Known As: 2,4,6-trimethyl-isophthalic acid, 2,4,6-Trimethyl-isophthalsaeure, 2,4,6-Trimethylisophthalic acid, 2,4,6-trimethylbenzene-1,3-dicarboxylic Acid, J3.081.185B
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 2.00826 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 408.14142 |
Chemical Identifiers
| CAS Number | 85190-53-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)O)C)C(=O)O)C |
Product Overview
2,4,6-Trimethylbenzene-1,3-dicarboxylic acid (CAS 85190-53-0), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2,4,6-trimethylbenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid
Property Insights of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid
The XLogP value of 2.00826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid?
The CAS number of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid is 85190-53-0.
What is the molecular formula of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid?
The molecular formula of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid is C11H12O4.
What is the molecular weight of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid?
The molecular weight of 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid is 208.07 g/mol.
Where can I buy 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid?
You can request a quote for 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylbenzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.