Triethylene glycol phthalate
TL;DR: Triethylene glycol phthalate (CAS 68439-19-0) is a chemical compound with molecular formula C14H18O7 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]benzoic acid
Also Known As: Triethylene glycol phthalate, 2-({2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}carbonyl)benzoic acid, J1.268.066J, Phthalic acid 1-(8-hydroxy-3,6-dioxaoctane-1-yl) ester, 2-((2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)carbonyl)benzoic acid
| Molecular Formula | C14H18O7 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 298.10526 |
| Heavy Atoms | 21 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 68439-19-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(=O)OCCOCCOCCO |
| InChIKey | NQEUTICDPLLXAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylene glycol phthalate (CAS 68439-19-0), with molecular formula C14H18O7 and molecular weight 298.11 g/mol. IUPAC: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]benzoic acid.
Chemical Property Profile of Triethylene glycol phthalate
Property Insights of Triethylene glycol phthalate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethylene glycol phthalate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethylene glycol phthalate. Following Lipinski's Rule of Five, Triethylene glycol phthalate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triethylene glycol phthalate?
The CAS number of Triethylene glycol phthalate is 68439-19-0.
What is the molecular formula of Triethylene glycol phthalate?
The molecular formula of Triethylene glycol phthalate is C14H18O7.
What is the molecular weight of Triethylene glycol phthalate?
The molecular weight of Triethylene glycol phthalate is 298.11 g/mol.
Where can I buy Triethylene glycol phthalate?
You can request a quote for Triethylene glycol phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylene glycol phthalate?
Yes, KEHONG BIO provides custom synthesis services for Triethylene glycol phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.