1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)
TL;DR: 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) (CAS 67952-97-0) is a chemical compound with molecular formula C63H93AlO12 and molecular weight 1068.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum tris(2-tridecoxycarbonylbenzoate)
Also Known As: Aluminium tridecyl phthalate (1:3:3), C21H32O4.1/3Al, aluminum 2-tridecoxycarbonylbenzoate, C21-H32-O4.1/3Al, Aluminum tridecyl phthalate (1:3:3)
| Molecular Formula | C63H93AlO12 |
|---|---|
| Molecular Weight | 1068.65 g/mol |
| LogP | 13.17 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 42 |
| Exact Mass | 1068.6482 |
| Heavy Atoms | 76 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 67952-97-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)[O-].[Al+3] |
| InChIKey | AOBDHTCOQZZDTN-UHFFFAOYSA-K |
Product Overview
1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) (CAS 67952-97-0), with molecular formula C63H93AlO12 and molecular weight 1068.65 g/mol. IUPAC: aluminum tris(2-tridecoxycarbonylbenzoate).
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)
Property Insights of 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)
The XLogP value of 13.17 indicates that 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 199.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) has 0 hydrogen bond donor(s) and 12 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-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) is 67952-97-0.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) is C63H93AlO12.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) is 1068.65 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1)?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-tridecyl ester, aluminum salt (3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.