o-TOLYL SALICYLATE
TL;DR: o-TOLYL SALICYLATE (CAS 617-01-6) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 2-hydroxybenzoate
Also Known As: o-Tolyl salicylate, o-cresyl salicylate, 2-Methylphenyl 2-hydroxybenzoate, Tolyl salicylate, o-, Salicylic acid, o-tolyl ester
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| Melting Point | 25.00 °C. @ 760.00 mm Hg |
| Boiling Point | 180.00 °C. @ 2.00 mm Hg |
| Density | 1.164-1.174 |
| Solubility | insoluble in water; soluble in some oils |
| Refractive Index | 1.576-1.584 |
Chemical Identifiers
| CAS Number | 617-01-6 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)C2=CC=CC=C2O |
| InChIKey | KITKATPLNVHGFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-TOLYL SALICYLATE (CAS 617-01-6), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: (2-methylphenyl) 2-hydroxybenzoate.
Chemical Property Profile of o-TOLYL SALICYLATE
Property Insights of o-TOLYL SALICYLATE
The XLogP value of 3.8 indicates that o-TOLYL SALICYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, o-TOLYL SALICYLATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-TOLYL SALICYLATE 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 SALICYLATE?
The CAS number of o-TOLYL SALICYLATE is 617-01-6.
What is the molecular formula of o-TOLYL SALICYLATE?
The molecular formula of o-TOLYL SALICYLATE is C14H12O3.
What is the molecular weight of o-TOLYL SALICYLATE?
The molecular weight of o-TOLYL SALICYLATE is 228.08 g/mol.
Where can I buy o-TOLYL SALICYLATE?
You can request a quote for o-TOLYL SALICYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-TOLYL SALICYLATE?
Yes, KEHONG BIO provides custom synthesis services for o-TOLYL SALICYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.