Allyl 3-methylbenzoate
TL;DR: Allyl 3-methylbenzoate (CAS 107227-74-7) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 3-methylbenzoate
Also Known As: Allyl 3-methylbenzoate, m-Toluic acid, allyl ester, Allyl 3-methylbenzoate #, prop-2-enyl 3-methylbenzoate, 3-Methylbenzoic acid allyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)OCC=C |
| InChIKey | WJTFPKSSYSADRW-UHFFFAOYSA-N |
Chemical Property Profile of Allyl 3-methylbenzoate
Property Insights of Allyl 3-methylbenzoate
The XLogP value of 3.4 indicates that Allyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 3-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
What is the CAS number of Allyl 3-methylbenzoate?
The CAS number of Allyl 3-methylbenzoate is 107227-74-7.
What is the molecular formula of Allyl 3-methylbenzoate?
The molecular formula of Allyl 3-methylbenzoate is C11H12O2.
What is the molecular weight of Allyl 3-methylbenzoate?
The molecular weight of Allyl 3-methylbenzoate is 176.08372 g/mol.
Where can I buy Allyl 3-methylbenzoate?
You can request a quote for Allyl 3-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl 3-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for Allyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.