水杨酸苯酯
TL;DR: 水杨酸苯酯 (CAS 118-55-8) is a chemical compound with molecular formula C13H10O3 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨酸苯酯
phenyl 2-hydroxybenzoate
Also Known As: Phenyl salicylate, Salol, PHENYL 2-HYDROXYBENZOATE, Salphenyl, Phenol salicylate
| Molecular Formula | C13H10O3 |
|---|---|
| Molecular Weight | 214.06 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 | 214.06299 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
| Melting Point | 41-43 |
| Boiling Point | 172-173 |
| Solubility | insoluble |
| Vapor Pressure | 0.00000817 [mmHg] |
Chemical Identifiers
| CAS Number | 118-55-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| InChIKey | ZQBAKBUEJOMQEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酸苯酯 (CAS 118-55-8), with molecular formula C13H10O3 and molecular weight 214.06 g/mol. IUPAC: phenyl 2-hydroxybenzoate.
Chemical Property Profile of 水杨酸苯酯
Property Insights of 水杨酸苯酯
The XLogP value of 3.8 indicates that 水杨酸苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水杨酸苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨酸苯酯 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 水杨酸苯酯?
The CAS number of 水杨酸苯酯 is 118-55-8.
What is the molecular formula of 水杨酸苯酯?
The molecular formula of 水杨酸苯酯 is C13H10O3.
What is the molecular weight of 水杨酸苯酯?
The molecular weight of 水杨酸苯酯 is 214.06 g/mol.
Where can I buy 水杨酸苯酯?
You can request a quote for 水杨酸苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酸苯酯?
Yes, KEHONG BIO provides custom synthesis services for 水杨酸苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.