水杨酸苄酯
TL;DR: 水杨酸苄酯 (CAS 118-58-1) 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.
水杨酸苄酯
benzyl 2-hydroxybenzoate
Also Known As: BENZYL SALICYLATE, Benzyl 2-hydroxybenzoate, Benzyl o-hydroxybenzoate, benzylsalicylate, Salicylic Acid Benzyl Ester
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| Melting Point | 23.9 °C |
| Boiling Point | 207.8 °C at 26 mmHg |
| Density | 1.175 at 20.0 °C |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 180 °C (180.0 °C) - closed cup |
| Vapor Pressure | 7.8X10-5 mm Hg at 25 °C /OECD Guideline 104 (Vapour Pressure Curve)/ |
| Refractive Index | 1.580-1.581 |
Chemical Identifiers
| CAS Number | 118-58-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O |
| InChIKey | ZCTQGTTXIYCGGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酸苄酯 (CAS 118-58-1), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: benzyl 2-hydroxybenzoate.
Chemical Property Profile of 水杨酸苄酯
Property Insights of 水杨酸苄酯
The XLogP value of 3.2 indicates that 水杨酸苄酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水杨酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨酸苄酯 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 水杨酸苄酯?
The CAS number of 水杨酸苄酯 is 118-58-1.
What is the molecular formula of 水杨酸苄酯?
The molecular formula of 水杨酸苄酯 is C14H12O3.
What is the molecular weight of 水杨酸苄酯?
The molecular weight of 水杨酸苄酯 is 228.08 g/mol.
Where can I buy 水杨酸苄酯?
You can request a quote for 水杨酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 水杨酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.