Didecyl isophthalate
TL;DR: Didecyl isophthalate (CAS 4654-20-0) 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.
didecyl benzene-1,3-dicarboxylate
Also Known As: Didecyl isophthalate, 1, didecyl ester, didecyl benzene-1,3-dicarboxylate, Didecyl isophthalate (mixed isomers), Isophthalic acid, didecyl ester
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 4654-20-0 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCCCCCC |
| InChIKey | XEHITPCNDNWPQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Didecyl isophthalate (CAS 4654-20-0), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: didecyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Didecyl isophthalate
Property Insights of Didecyl isophthalate
The XLogP value of 10.6 indicates that Didecyl isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Didecyl isophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Didecyl isophthalate 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 Didecyl isophthalate?
The CAS number of Didecyl isophthalate is 4654-20-0.
What is the molecular formula of Didecyl isophthalate?
The molecular formula of Didecyl isophthalate is C28H46O4.
What is the molecular weight of Didecyl isophthalate?
The molecular weight of Didecyl isophthalate is 446.34 g/mol.
Where can I buy Didecyl isophthalate?
You can request a quote for Didecyl isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Didecyl isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Didecyl isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.