Ethylene glycol monobenzoate
TL;DR: Ethylene glycol monobenzoate (CAS 94-33-7) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl benzoate
Also Known As: 2-Hydroxyethyl benzoate, 2-(Benzoyloxy)ethanol, Ethylene glycol monobenzoate, Styramate, 1, monobenzoate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 94-33-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCO |
| InChIKey | LSWRBVSEWBWTDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylene glycol monobenzoate (CAS 94-33-7), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 2-hydroxyethyl benzoate.
Chemical Property Profile of Ethylene glycol monobenzoate
Property Insights of Ethylene glycol monobenzoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylene glycol monobenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethylene glycol monobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylene glycol monobenzoate has 1 hydrogen bond donor(s) and 3 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 Ethylene glycol monobenzoate?
The CAS number of Ethylene glycol monobenzoate is 94-33-7.
What is the molecular formula of Ethylene glycol monobenzoate?
The molecular formula of Ethylene glycol monobenzoate is C9H10O3.
What is the molecular weight of Ethylene glycol monobenzoate?
The molecular weight of Ethylene glycol monobenzoate is 166.06 g/mol.
Where can I buy Ethylene glycol monobenzoate?
You can request a quote for Ethylene glycol monobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylene glycol monobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethylene glycol monobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.