(1'-Ethoxy)ethyl 2-acetoxybenzoate
TL;DR: (1'-Ethoxy)ethyl 2-acetoxybenzoate (CAS 5465-40-7) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxyethyl 2-acetyloxybenzoate
Also Known As: (1'-Ethoxy)ethyl 2-acetoxybenzoate, 1-ethoxyethyl 2-acetyloxybenzoate, KST-1A5915, 1-Ethoxyethyl 2-(acetyloxy)benzoate, Benzoic acid, 2-(acetyloxy)-, 1-ethoxyethyl ester
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 5465-40-7 |
|---|---|
| SMILES | CCOC(C)OC(=O)C1=CC=CC=C1OC(=O)C |
| InChIKey | GTFWTMNZXZVDST-UHFFFAOYSA-N |
Product Overview
(1'-Ethoxy)ethyl 2-acetoxybenzoate (CAS 5465-40-7), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: 1-ethoxyethyl 2-acetyloxybenzoate.
Chemical Property Profile of (1'-Ethoxy)ethyl 2-acetoxybenzoate
Property Insights of (1'-Ethoxy)ethyl 2-acetoxybenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1'-Ethoxy)ethyl 2-acetoxybenzoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1'-Ethoxy)ethyl 2-acetoxybenzoate. Following Lipinski's Rule of Five, (1'-Ethoxy)ethyl 2-acetoxybenzoate has 0 hydrogen bond donor(s) and 5 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 (1'-Ethoxy)ethyl 2-acetoxybenzoate?
The CAS number of (1'-Ethoxy)ethyl 2-acetoxybenzoate is 5465-40-7.
What is the molecular formula of (1'-Ethoxy)ethyl 2-acetoxybenzoate?
The molecular formula of (1'-Ethoxy)ethyl 2-acetoxybenzoate is C13H16O5.
What is the molecular weight of (1'-Ethoxy)ethyl 2-acetoxybenzoate?
The molecular weight of (1'-Ethoxy)ethyl 2-acetoxybenzoate is 252.10 g/mol.
Where can I buy (1'-Ethoxy)ethyl 2-acetoxybenzoate?
You can request a quote for (1'-Ethoxy)ethyl 2-acetoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1'-Ethoxy)ethyl 2-acetoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1'-Ethoxy)ethyl 2-acetoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.