1,3-Benzenedicarboxylic acid, diisodecyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, diisodecyl ester (CAS 52284-35-2) is a chemical compound with molecular formula C28H46O4 and molecular weight 446.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(8-methylnonyl) benzene-1,3-dicarboxylate
Also Known As: Diisodecylisophthalate, Isophthalic acid, diisodecyl ester, 1,3-Benzenedicarboxylic acid, diisodecyl ester, Isophthalic acid,diisodecyl ester, bis(8-methylnonyl) benzene-1,3-dicarboxylate
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 7.9934 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 584.82446 |
Chemical Identifiers
| CAS Number | 52284-35-2 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCC(C)C |
Product Overview
1,3-Benzenedicarboxylic acid, diisodecyl ester (CAS 52284-35-2), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: bis(8-methylnonyl) benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, diisodecyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, diisodecyl ester
The XLogP value of 7.9934 indicates that 1,3-Benzenedicarboxylic acid, diisodecyl 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, 1,3-Benzenedicarboxylic acid, diisodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, diisodecyl 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 1,3-Benzenedicarboxylic acid, diisodecyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, diisodecyl ester is 52284-35-2.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, diisodecyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, diisodecyl ester is C28H46O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, diisodecyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, diisodecyl ester is 446.34 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, diisodecyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, diisodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, diisodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, diisodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.