Dioctylisophthalate
TL;DR: Dioctylisophthalate (CAS 5436-91-9) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl benzene-1,3-dicarboxylate
Also Known As: Dioctyl isophthalate, dioctylisophthalate, Dioctylisophthalat, dioctyl benzene-1,3-dicarboxylate, Di-n-octylisophthalate
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 5436-91-9 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCC |
| InChIKey | LERGDXJITDVDBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioctylisophthalate (CAS 5436-91-9), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: dioctyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Dioctylisophthalate
Property Insights of Dioctylisophthalate
The XLogP value of 8.5 indicates that Dioctylisophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dioctylisophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioctylisophthalate 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 Dioctylisophthalate?
The CAS number of Dioctylisophthalate is 5436-91-9.
What is the molecular formula of Dioctylisophthalate?
The molecular formula of Dioctylisophthalate is C24H38O4.
What is the molecular weight of Dioctylisophthalate?
The molecular weight of Dioctylisophthalate is 390.28 g/mol.
Where can I buy Dioctylisophthalate?
You can request a quote for Dioctylisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioctylisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dioctylisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.