Allyl 4-ethoxybenzoate
TL;DR: Allyl 4-ethoxybenzoate (CAS 466657-44-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-ethoxybenzoate
Also Known As: Allyl 4-ethoxybenzoate, prop-2-enyl 4-ethoxybenzoate, prop-2-en-1-yl 4-ethoxybenzoate, Benzoicacid,4-ethoxy-,2-propenylester, Benzoic acid, 4-ethoxy-, 2-propenyl ester (9CI)
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 466657-44-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OCC=C |
| InChIKey | QTOFSHYIBOVZQY-UHFFFAOYSA-N |
Product Overview
Allyl 4-ethoxybenzoate (CAS 466657-44-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: prop-2-enyl 4-ethoxybenzoate.
Chemical Property Profile of Allyl 4-ethoxybenzoate
Property Insights of Allyl 4-ethoxybenzoate
The XLogP value of 3.4 indicates that Allyl 4-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Allyl 4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 4-ethoxybenzoate has 0 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 Allyl 4-ethoxybenzoate?
The CAS number of Allyl 4-ethoxybenzoate is 466657-44-3.
What is the molecular formula of Allyl 4-ethoxybenzoate?
The molecular formula of Allyl 4-ethoxybenzoate is C12H14O3.
What is the molecular weight of Allyl 4-ethoxybenzoate?
The molecular weight of Allyl 4-ethoxybenzoate is 206.09 g/mol.
Where can I buy Allyl 4-ethoxybenzoate?
You can request a quote for Allyl 4-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.