Diethylene glycol monobenzoate
TL;DR: Diethylene glycol monobenzoate (CAS 20587-61-5) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethoxy)ethyl benzoate
Also Known As: 2-(2-Hydroxyethoxy)ethyl benzoate, Diethylene glycol monobenzoate, Ethanol, 2-[2-(benzoyloxy)ethoxy]-, Diethylene glycol benzoate, 2- ethylbenzoate
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 20587-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCOCCO |
| InChIKey | DNUPYEDSAQDUSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethylene glycol monobenzoate (CAS 20587-61-5), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: 2-(2-hydroxyethoxy)ethyl benzoate.
Chemical Property Profile of Diethylene glycol monobenzoate
Property Insights of Diethylene glycol monobenzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylene glycol monobenzoate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethylene glycol monobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylene glycol monobenzoate has 1 hydrogen bond donor(s) and 4 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 Diethylene glycol monobenzoate?
The CAS number of Diethylene glycol monobenzoate is 20587-61-5.
What is the molecular formula of Diethylene glycol monobenzoate?
The molecular formula of Diethylene glycol monobenzoate is C11H14O4.
What is the molecular weight of Diethylene glycol monobenzoate?
The molecular weight of Diethylene glycol monobenzoate is 210.09 g/mol.
Where can I buy Diethylene glycol monobenzoate?
You can request a quote for Diethylene glycol monobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylene glycol monobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Diethylene glycol monobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.