Allyl 4-methylbenzoate
TL;DR: Allyl 4-methylbenzoate (CAS 3201-36-3) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-methylbenzoate
Also Known As: Allyl 4-methylbenzoate, allyl p-methylbenzoate, p-Toluic acid, allyl ester, Allyl 4-methylbenzoate #, prop-2-enyl 4-methylbenzoate
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 3201-36-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC=C |
| InChIKey | GGJIQHHMXJIVPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl 4-methylbenzoate (CAS 3201-36-3), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: prop-2-enyl 4-methylbenzoate.
Chemical Property Profile of Allyl 4-methylbenzoate
Property Insights of Allyl 4-methylbenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 4-methylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 2 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-methylbenzoate?
The CAS number of Allyl 4-methylbenzoate is 3201-36-3.
What is the molecular formula of Allyl 4-methylbenzoate?
The molecular formula of Allyl 4-methylbenzoate is C11H12O2.
What is the molecular weight of Allyl 4-methylbenzoate?
The molecular weight of Allyl 4-methylbenzoate is 176.08 g/mol.
Where can I buy Allyl 4-methylbenzoate?
You can request a quote for Allyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.