Allyl 4-methoxybenzoate
TL;DR: Allyl 4-methoxybenzoate (CAS 82422-25-1) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-methoxybenzoate
Also Known As: Allyl 4-methoxybenzoate, allyl p-methoxybenzoate, Allyl 4-methoxybenzoate #, prop-2-enyl 4-methoxybenzoate, prop-2-en-1-yl 4-methoxybenzoate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 82422-25-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCC=C |
| InChIKey | JUZUVYLOVZGXAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl 4-methoxybenzoate (CAS 82422-25-1), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: prop-2-enyl 4-methoxybenzoate.
Chemical Property Profile of Allyl 4-methoxybenzoate
Property Insights of Allyl 4-methoxybenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 4-methoxybenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Allyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 4-methoxybenzoate 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-methoxybenzoate?
The CAS number of Allyl 4-methoxybenzoate is 82422-25-1.
What is the molecular formula of Allyl 4-methoxybenzoate?
The molecular formula of Allyl 4-methoxybenzoate is C11H12O3.
What is the molecular weight of Allyl 4-methoxybenzoate?
The molecular weight of Allyl 4-methoxybenzoate is 192.08 g/mol.
Where can I buy Allyl 4-methoxybenzoate?
You can request a quote for Allyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.