1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester (CAS 61886-60-0) is a chemical compound with molecular formula C31H52O4 and molecular weight 488.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(8-methylnonyl) 1-O-tridecyl benzene-1,2-dicarboxylate
Also Known As: Isodecyl tridecyl phthalate, Tridecyl isodecyl phthalate, Mixed isodecyl, tridecyl phthalates, 8-methylnonyl tridecyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, isodecyl tridecyl ester
| Molecular Formula | C31H52O4 |
|---|---|
| Molecular Weight | 488.39 g/mol |
| LogP | 12.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 488.38657 |
| Heavy Atoms | 35 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 61886-60-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C |
| InChIKey | TYLLMRSWXAGLFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester (CAS 61886-60-0), with molecular formula C31H52O4 and molecular weight 488.39 g/mol. IUPAC: 2-O-(8-methylnonyl) 1-O-tridecyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester
The XLogP value of 12.6 indicates that 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester has 0 hydrogen bond donor(s) and 4 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-isodecyl 2-tridecyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester is 61886-60-0.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester is C31H52O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester is 488.39 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester 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-isodecyl 2-tridecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.