Ethyl p-acetoxybenzoate
TL;DR: Ethyl p-acetoxybenzoate (CAS 13031-45-3) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyloxybenzoate
Also Known As: Ethyl p-acetoxybenzoate, ethyl 4-acetyloxybenzoate, Ethyl 4-acetoxybenzoate, p-EtO2CC6H4OAc, ETHYL-4-ACETOXYBENZOATE
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.7886 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 353.3556 |
Chemical Identifiers
| CAS Number | 13031-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC(=O)C |
Product Overview
Ethyl p-acetoxybenzoate (CAS 13031-45-3), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: ethyl 4-acetyloxybenzoate.
Chemical Property Profile of Ethyl p-acetoxybenzoate
Property Insights of Ethyl p-acetoxybenzoate
The XLogP value of 1.7886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl p-acetoxybenzoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl p-acetoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl p-acetoxybenzoate 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 Ethyl p-acetoxybenzoate?
The CAS number of Ethyl p-acetoxybenzoate is 13031-45-3.
What is the molecular formula of Ethyl p-acetoxybenzoate?
The molecular formula of Ethyl p-acetoxybenzoate is C11H12O4.
What is the molecular weight of Ethyl p-acetoxybenzoate?
The molecular weight of Ethyl p-acetoxybenzoate is 208.07 g/mol.
Where can I buy Ethyl p-acetoxybenzoate?
You can request a quote for Ethyl p-acetoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl p-acetoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl p-acetoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.