Triethylene glycol monoadipate
TL;DR: Triethylene glycol monoadipate (CAS 64114-59-6) is a chemical compound with molecular formula C12H22O7 and molecular weight 278.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-6-oxohexanoic acid
Also Known As: Triethylene glycol monoadipate, [2-[2-(2-hydroxyethoxy)ethoxy]ethyl] hydrogen adipate, Adipic acid monoester of triethylene glycol, 6-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)-6-oxohexanoic acid, [2-[2- ethoxy]ethyl]hydrogenadipate
| Molecular Formula | C12H22O7 |
|---|---|
| Molecular Weight | 278.14 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 278.13657 |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 64114-59-6 |
|---|---|
| SMILES | C(CCC(=O)OCCOCCOCCO)CC(=O)O |
| InChIKey | ZJRNXLJWZAVCCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triethylene glycol monoadipate (CAS 64114-59-6), with molecular formula C12H22O7 and molecular weight 278.14 g/mol. IUPAC: 6-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-6-oxohexanoic acid.
Chemical Property Profile of Triethylene glycol monoadipate
Property Insights of Triethylene glycol monoadipate
The XLogP value of -0.7 indicates that Triethylene glycol monoadipate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethylene glycol monoadipate. Following Lipinski's Rule of Five, Triethylene glycol monoadipate 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 monoadipate?
The CAS number of Triethylene glycol monoadipate is 64114-59-6.
What is the molecular formula of Triethylene glycol monoadipate?
The molecular formula of Triethylene glycol monoadipate is C12H22O7.
What is the molecular weight of Triethylene glycol monoadipate?
The molecular weight of Triethylene glycol monoadipate is 278.14 g/mol.
Where can I buy Triethylene glycol monoadipate?
You can request a quote for Triethylene glycol monoadipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylene glycol monoadipate?
Yes, KEHONG BIO provides custom synthesis services for Triethylene glycol monoadipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.