1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester (CAS 71786-61-3) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(8-methylnonyl) 4,4-diformylcyclohexa-2,6-diene-1,2-dicarboxylate
Also Known As: Diisodecyl 4,4'-carbonyldiphthalate, 3,3',4,4'-Benzophenonetetracarboxylic acid, diisodecyl ester, 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester, bis(8-methylnonyl) 4,4-diformylcyclohexa-2,6-diene-1,2-dicarboxylate, RefChem:71642
| Molecular Formula | C30H48O6 |
|---|---|
| Molecular Weight | 504.35 g/mol |
| LogP | 6.7067 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 504.3451 |
| Heavy Atoms | 36 |
| Complexity | 738.5381 |
Chemical Identifiers
| CAS Number | 71786-61-3 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1=CCC(C=C1C(=O)OCCCCCCCC(C)C)(C=O)C=O |
Product Overview
1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester (CAS 71786-61-3), with molecular formula C30H48O6 and molecular weight 504.35 g/mol. IUPAC: bis(8-methylnonyl) 4,4-diformylcyclohexa-2,6-diene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester
The XLogP value of 6.7067 indicates that 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester 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-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester is 71786-61-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester is C30H48O6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester is 504.35 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl 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, 4,4'-carbonylbis-, diisodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-, diisodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.