Trimethyl 5-methyl-1,2,4-benzenetricarboxylate
TL;DR: Trimethyl 5-methyl-1,2,4-benzenetricarboxylate (CAS 39036-63-0) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 5-methylbenzene-1,2,4-tricarboxylate
Also Known As: Trimethyl 5-methyl-1,2,4-benzenetricarboxylate, trimethyl 5-methylbenzene-1,2,4-tricarboxylate, 5-Methyl-1,2,4-benzenetricarboxylicacidtrimethylester, Trimethyl 5-methyl-1,2,4-benzenetricarboxylate #, 1,2,4-Benzenetricarboxylic acid, 5-methyl-, trimethyl ester
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 39036-63-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(=O)OC)C(=O)OC)C(=O)OC |
| InChIKey | MXOQJMRHFWMQDW-UHFFFAOYSA-N |
Product Overview
Trimethyl 5-methyl-1,2,4-benzenetricarboxylate (CAS 39036-63-0), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: trimethyl 5-methylbenzene-1,2,4-tricarboxylate.
Chemical Property Profile of Trimethyl 5-methyl-1,2,4-benzenetricarboxylate
Property Insights of Trimethyl 5-methyl-1,2,4-benzenetricarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethyl 5-methyl-1,2,4-benzenetricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl 5-methyl-1,2,4-benzenetricarboxylate. Following Lipinski's Rule of Five, Trimethyl 5-methyl-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 5-methyl-1,2,4-benzenetricarboxylate?
The CAS number of Trimethyl 5-methyl-1,2,4-benzenetricarboxylate is 39036-63-0.
What is the molecular formula of Trimethyl 5-methyl-1,2,4-benzenetricarboxylate?
The molecular formula of Trimethyl 5-methyl-1,2,4-benzenetricarboxylate is C13H14O6.
What is the molecular weight of Trimethyl 5-methyl-1,2,4-benzenetricarboxylate?
The molecular weight of Trimethyl 5-methyl-1,2,4-benzenetricarboxylate is 266.08 g/mol.
Where can I buy Trimethyl 5-methyl-1,2,4-benzenetricarboxylate?
You can request a quote for Trimethyl 5-methyl-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 5-methyl-1,2,4-benzenetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl 5-methyl-1,2,4-benzenetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.