水杨酸异戊酯
TL;DR: 水杨酸异戊酯 (CAS 87-20-7) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨酸异戊酯
3-methylbutyl 2-hydroxybenzoate
Also Known As: Isoamyl salicylate, Isopentyl 2-Hydroxybenzoate, Isopentyl salicylate, 3-Methylbutyl 2-hydroxybenzoate, 3-Methylbutyl salicylate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
| Boiling Point | 277.00 to 278.00 °C. @ 760.00 mm Hg |
| Density | 1.046-1.055 |
| Solubility | 0.145 mg/mL at 25 °C |
| Refractive Index | 1.504-1.509 |
Chemical Identifiers
| CAS Number | 87-20-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=CC=C1O |
| InChIKey | PMGCQNGBLMMXEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酸异戊酯 (CAS 87-20-7), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-methylbutyl 2-hydroxybenzoate.
Chemical Property Profile of 水杨酸异戊酯
Property Insights of 水杨酸异戊酯
The XLogP value of 4.6 indicates that 水杨酸异戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水杨酸异戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨酸异戊酯 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 水杨酸异戊酯?
The CAS number of 水杨酸异戊酯 is 87-20-7.
What is the molecular formula of 水杨酸异戊酯?
The molecular formula of 水杨酸异戊酯 is C12H16O3.
What is the molecular weight of 水杨酸异戊酯?
The molecular weight of 水杨酸异戊酯 is 208.11 g/mol.
Where can I buy 水杨酸异戊酯?
You can request a quote for 水杨酸异戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酸异戊酯?
Yes, KEHONG BIO provides custom synthesis services for 水杨酸异戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.