1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate
TL;DR: 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate (CAS 70225-05-7) is a chemical compound with molecular formula C42H72O6 and molecular weight 672.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate
Also Known As: Tridecyl trimellitate, TRIDECYLTRIMELLITATE, 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate, EC 615-086-0, 1,2,4-Benzenetricarboxylic acid, mixed branched tridecyl and isodecyl esters
| Molecular Formula | C42H72O6 |
|---|---|
| Molecular Weight | 672.53 g/mol |
| LogP | 12.4612 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 31 |
| Exact Mass | 672.5329 |
| Heavy Atoms | 48 |
| Complexity | 968.87616 |
Chemical Identifiers
| CAS Number | 70225-05-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C |
Product Overview
1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate (CAS 70225-05-7), with molecular formula C42H72O6 and molecular weight 672.53 g/mol. IUPAC: 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate.
Chemical Property Profile of 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate
Property Insights of 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate
The XLogP value of 12.4612 indicates that 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate 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-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate. Following Lipinski's Rule of Five, 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate 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-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate?
The CAS number of 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate is 70225-05-7.
What is the molecular formula of 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate?
The molecular formula of 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate is C42H72O6.
What is the molecular weight of 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate?
The molecular weight of 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate is 672.53 g/mol.
Where can I buy 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate?
You can request a quote for 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl 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 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-O,2-O-bis(8-methylnonyl) 4-O-tridecyl benzene-1,2,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.