水杨酸异丁酯
TL;DR: 水杨酸异丁酯 (CAS 87-19-4) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨酸异丁酯
2-methylpropyl 2-hydroxybenzoate
Also Known As: Isobutyl salicylate, Isobutyl 2-hydroxybenzoate, 2-Methylpropyl 2-hydroxybenzoate, Isobutyl o-hydroxybenzoate, Orchindone
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
| Melting Point | -6 °C |
| Boiling Point | 261.00 °C. @ 760.00 mm Hg |
| Density | 1.062-1.069 |
| Solubility | insoluble in water, glycerol; soluble in organic solvents, oils |
| Refractive Index | 1.506-1.570 |
Chemical Identifiers
| CAS Number | 87-19-4 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC=C1O |
| InChIKey | PTXDBYSCVQQBNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨酸异丁酯 (CAS 87-19-4), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-methylpropyl 2-hydroxybenzoate.
Chemical Property Profile of 水杨酸异丁酯
Property Insights of 水杨酸异丁酯
The XLogP value of 3.9 indicates that 水杨酸异丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 水杨酸异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨酸异丁酯 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 水杨酸异丁酯?
The CAS number of 水杨酸异丁酯 is 87-19-4.
What is the molecular formula of 水杨酸异丁酯?
The molecular formula of 水杨酸异丁酯 is C11H14O3.
What is the molecular weight of 水杨酸异丁酯?
The molecular weight of 水杨酸异丁酯 is 194.09 g/mol.
Where can I buy 水杨酸异丁酯?
You can request a quote for 水杨酸异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨酸异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 水杨酸异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.