o-Tolyl 3-methylsalicylate
TL;DR: o-Tolyl 3-methylsalicylate (CAS 85006-08-2) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2-hydroxy-3-methylbenzoate
Also Known As: o-Tolyl 3-methylsalicylate, o-tolyl3-methylsalicylate, EINECS 285-038-8, (2-methylphenyl) 2-hydroxy-3-methylbenzoate, 2-METHYLPHENYL 2-HYDROXY-3-METHYLBENZOATE
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 3.22824 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 588.0426 |
Chemical Identifiers
| CAS Number | 85006-08-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)OC2=CC=CC=C2C)O |
Product Overview
o-Tolyl 3-methylsalicylate (CAS 85006-08-2), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: (2-methylphenyl) 2-hydroxy-3-methylbenzoate.
Chemical Property Profile of o-Tolyl 3-methylsalicylate
Property Insights of o-Tolyl 3-methylsalicylate
The XLogP value of 3.22824 indicates that o-Tolyl 3-methylsalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, o-Tolyl 3-methylsalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Tolyl 3-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 o-Tolyl 3-methylsalicylate?
The CAS number of o-Tolyl 3-methylsalicylate is 85006-08-2.
What is the molecular formula of o-Tolyl 3-methylsalicylate?
The molecular formula of o-Tolyl 3-methylsalicylate is C15H14O3.
What is the molecular weight of o-Tolyl 3-methylsalicylate?
The molecular weight of o-Tolyl 3-methylsalicylate is 242.09 g/mol.
Where can I buy o-Tolyl 3-methylsalicylate?
You can request a quote for o-Tolyl 3-methylsalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Tolyl 3-methylsalicylate?
Yes, KEHONG BIO provides custom synthesis services for o-Tolyl 3-methylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.