Ethylene dibenzoate
TL;DR: Ethylene dibenzoate (CAS 94-49-5) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyloxyethyl benzoate
Also Known As: Ethylene glycol dibenzoate, Ethylene dibenzoate, Glycol dibenzoate, Benzoflex e-60, Benzoflex 998
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 94-49-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCOC(=O)C2=CC=CC=C2 |
| InChIKey | XFDQLDNQZFOAFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylene dibenzoate (CAS 94-49-5), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-benzoyloxyethyl benzoate.
Chemical Property Profile of Ethylene dibenzoate
Property Insights of Ethylene dibenzoate
The XLogP value of 3.5 indicates that Ethylene dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethylene dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylene dibenzoate has 0 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 Ethylene dibenzoate?
The CAS number of Ethylene dibenzoate is 94-49-5.
What is the molecular formula of Ethylene dibenzoate?
The molecular formula of Ethylene dibenzoate is C16H14O4.
What is the molecular weight of Ethylene dibenzoate?
The molecular weight of Ethylene dibenzoate is 270.09 g/mol.
Where can I buy Ethylene dibenzoate?
You can request a quote for Ethylene dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylene dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethylene dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.