Methyl 5-methylsalicylate
TL;DR: Methyl 5-methylsalicylate (CAS 22717-57-3) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-methylbenzoate
Also Known As: Methyl 5-methylsalicylate, Methyl 2-hydroxy-5-methylbenzoate, 2, methyl ester, methyl-5-methylsalicylate, Methyl5-methylsalicylate
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 22717-57-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=O)OC |
| InChIKey | JQYUQKRFSSSGJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-methylsalicylate (CAS 22717-57-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: methyl 2-hydroxy-5-methylbenzoate.
Chemical Property Profile of Methyl 5-methylsalicylate
Property Insights of Methyl 5-methylsalicylate
The XLogP value of 3.1 indicates that Methyl 5-methylsalicylate 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 5-methylsalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-methylsalicylate 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 5-methylsalicylate?
The CAS number of Methyl 5-methylsalicylate is 22717-57-3.
What is the molecular formula of Methyl 5-methylsalicylate?
The molecular formula of Methyl 5-methylsalicylate is C9H10O3.
What is the molecular weight of Methyl 5-methylsalicylate?
The molecular weight of Methyl 5-methylsalicylate is 166.06 g/mol.
Where can I buy Methyl 5-methylsalicylate?
You can request a quote for Methyl 5-methylsalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-methylsalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.