Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate
TL;DR: Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate (CAS 36304-47-9) 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.
methyl 2-hydroxy-3-prop-2-enylbenzoate
Also Known As: 3-Allylsalicylic acid methyl ester, Methyl 3-allylsalicylate, methyl 3-allyl-2-hydroxybenzoate, methyl 3-allyl-salicylate, methyl 2-hydroxy-3-prop-2-enylbenzoate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 36304-47-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1O)CC=C |
| InChIKey | BRFCIUCUICKZFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate (CAS 36304-47-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: methyl 2-hydroxy-3-prop-2-enylbenzoate.
Chemical Property Profile of Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate
Property Insights of Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate
The XLogP value of 3.0 indicates that Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate has 1 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 Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate?
The CAS number of Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate is 36304-47-9.
What is the molecular formula of Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate?
The molecular formula of Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate is C11H12O3.
What is the molecular weight of Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate?
The molecular weight of Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate is 192.08 g/mol.
Where can I buy Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate?
You can request a quote for Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-3-(2-propen-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.