1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate
TL;DR: 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate (CAS 33975-28-9) is a chemical compound with molecular formula C20H28O6 and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,2-O-dimethyl 4-O-nonyl benzene-1,2,4-tricarboxylate
Also Known As: 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate, 1,2-dimethyl 4-nonyl benzene-1,2,4-tricarboxylate, 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate #, 1,2,4-Benzenetricarboxylicacid1,2-dimethyl4-nonylester, 1,2,4-Benzenetricarboxylic acid, 1,2-dimethyl nonyl ester
| Molecular Formula | C20H28O6 |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 364.1886 |
| Heavy Atoms | 26 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 33975-28-9 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| InChIKey | POOFYBJYFDILOB-UHFFFAOYSA-N |
Product Overview
1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate (CAS 33975-28-9), with molecular formula C20H28O6 and molecular weight 364.19 g/mol. IUPAC: 1-O,2-O-dimethyl 4-O-nonyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate
Property Insights of 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate
The XLogP value of 5.4 indicates that 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate 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 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate. Following Lipinski's Rule of Five, 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate 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 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate?
The CAS number of 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate is 33975-28-9.
What is the molecular formula of 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate?
The molecular formula of 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate is C20H28O6.
What is the molecular weight of 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate?
The molecular weight of 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate is 364.19 g/mol.
Where can I buy 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate?
You can request a quote for 1,2-Dimethyl 4-nonyl 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 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl 4-nonyl 1,2,4-benzenetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.