Ethyl decyl terephthalate
TL;DR: Ethyl decyl terephthalate (CAS 54699-33-1) 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.
4-O-decyl 1-O-ethyl benzene-1,4-dicarboxylate
Also Known As: Ethyl decyl terephthalate, Decyl ethyl terephthalate, 1-Decyl 4-ethyl terephthalate, Terephthalic acid, decyl ethyl ester, 1-Decyl 4-ethyl terephthalate #
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 7.0 |
| 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 | 346.0 |
Chemical Identifiers
| CAS Number | 54699-33-1 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCC |
| InChIKey | TXYMWKFYHOTGMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl decyl terephthalate (CAS 54699-33-1), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 4-O-decyl 1-O-ethyl benzene-1,4-dicarboxylate.
Chemical Property Profile of Ethyl decyl terephthalate
Property Insights of Ethyl decyl terephthalate
The XLogP value of 7.0 indicates that Ethyl decyl 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, Ethyl decyl terephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl decyl 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 Ethyl decyl terephthalate?
The CAS number of Ethyl decyl terephthalate is 54699-33-1.
What is the molecular formula of Ethyl decyl terephthalate?
The molecular formula of Ethyl decyl terephthalate is C20H30O4.
What is the molecular weight of Ethyl decyl terephthalate?
The molecular weight of Ethyl decyl terephthalate is 334.21 g/mol.
Where can I buy Ethyl decyl terephthalate?
You can request a quote for Ethyl decyl terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl decyl terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl decyl terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.