Dihexyl terephthalate
TL;DR: Dihexyl terephthalate (CAS 1818-96-8) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihexyl benzene-1,4-dicarboxylate
Also Known As: Dihexyl terephthalate, Terephthalate, dihexyl, Dihexyl terephthalate #, dihexyl benzene-1,4-dicarboxylate, Terephthalic acid, dihexyl ester
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 1818-96-8 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCCC |
| InChIKey | MLIPQTRXLNTCRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyl terephthalate (CAS 1818-96-8), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: dihexyl benzene-1,4-dicarboxylate.
Chemical Property Profile of Dihexyl terephthalate
Property Insights of Dihexyl terephthalate
The XLogP value of 7.7 indicates that Dihexyl terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dihexyl terephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyl terephthalate 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 Dihexyl terephthalate?
The CAS number of Dihexyl terephthalate is 1818-96-8.
What is the molecular formula of Dihexyl terephthalate?
The molecular formula of Dihexyl terephthalate is C20H30O4.
What is the molecular weight of Dihexyl terephthalate?
The molecular weight of Dihexyl terephthalate is 334.21 g/mol.
Where can I buy Dihexyl terephthalate?
You can request a quote for Dihexyl terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihexyl terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.