Trimethyl 1,2,4-benzenetricarboxylate
TL;DR: Trimethyl 1,2,4-benzenetricarboxylate (CAS 2459-10-1) is a chemical compound with molecular formula C12H12O6 and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl benzene-1,2,4-tricarboxylate
Also Known As: Trimethyl trimellitate, Methyl trimellitate, Trimethyl benzene-1,2,4-tricarboxylate, TRIMETHYL 1,2,4-BENZENETRICARBOXYLATE, Trimellitic acid trimethyl ester
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
| Melting Point | -13 °C |
| Boiling Point | 194 °C at 12 mm Hg |
| Density | 1.261 |
| Refractive Index | = 1.5230 at 20 °C |
Chemical Identifiers
| CAS Number | 2459-10-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| InChIKey | MJHNUUNSCNRGJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethyl 1,2,4-benzenetricarboxylate (CAS 2459-10-1), with molecular formula C12H12O6 and molecular weight 252.06 g/mol. IUPAC: trimethyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of Trimethyl 1,2,4-benzenetricarboxylate
Property Insights of Trimethyl 1,2,4-benzenetricarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl 1,2,4-benzenetricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl 1,2,4-benzenetricarboxylate. Following Lipinski's Rule of Five, Trimethyl 1,2,4-benzenetricarboxylate has 0 hydrogen bond donor(s) and 6 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 Trimethyl 1,2,4-benzenetricarboxylate?
The CAS number of Trimethyl 1,2,4-benzenetricarboxylate is 2459-10-1.
What is the molecular formula of Trimethyl 1,2,4-benzenetricarboxylate?
The molecular formula of Trimethyl 1,2,4-benzenetricarboxylate is C12H12O6.
What is the molecular weight of Trimethyl 1,2,4-benzenetricarboxylate?
The molecular weight of Trimethyl 1,2,4-benzenetricarboxylate is 252.06 g/mol.
Where can I buy Trimethyl 1,2,4-benzenetricarboxylate?
You can request a quote for Trimethyl 1,2,4-benzenetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl 1,2,4-benzenetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl 1,2,4-benzenetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.