水杨酸己酯
TL;DR: 水杨酸己酯 (CAS 6259-76-3) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨酸己酯
hexyl 2-hydroxybenzoate
Also Known As: Hexyl salicylate, Hexyl 2-hydroxybenzoate, 1-Hexyl salicylate, N-HEXYL SALICYLATE, Hexylsalicylate
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 6259-76-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=CC=C1O |
| InChIKey | DUKPKQFHJQGTGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酸己酯 (CAS 6259-76-3), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: hexyl 2-hydroxybenzoate.
Chemical Property Profile of 水杨酸己酯
Property Insights of 水杨酸己酯
The XLogP value of 5.7 indicates that 水杨酸己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水杨酸己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨酸己酯 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 水杨酸己酯?
The CAS number of 水杨酸己酯 is 6259-76-3.
What is the molecular formula of 水杨酸己酯?
The molecular formula of 水杨酸己酯 is C13H18O3.
What is the molecular weight of 水杨酸己酯?
The molecular weight of 水杨酸己酯 is 222.13 g/mol.
Where can I buy 水杨酸己酯?
You can request a quote for 水杨酸己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酸己酯?
Yes, KEHONG BIO provides custom synthesis services for 水杨酸己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.