异戊酸异丙酯
TL;DR: 异戊酸异丙酯 (CAS 32665-23-9) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊酸异丙酯
propan-2-yl 3-methylbutanoate
Also Known As: Isopropyl isovalerate, Isopropyl isopentanoate, Isopropyl 3-methylbutanoate, propan-2-yl 3-methylbutanoate, 9-Heptacosanone
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
| Boiling Point | 142.00 °C. @ 760.00 mm Hg |
| Density | 0.848-0.853 (20°) |
| Solubility | insoluble in water; soluble in most organic solvents |
| Refractive Index | 1.394-1.399 |
Chemical Identifiers
| CAS Number | 32665-23-9 |
|---|---|
| SMILES | CC(C)CC(=O)OC(C)C |
| InChIKey | ZOIRKXLFEHOVER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊酸异丙酯 (CAS 32665-23-9), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: propan-2-yl 3-methylbutanoate.
Chemical Property Profile of 异戊酸异丙酯
Property Insights of 异戊酸异丙酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异戊酸异丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 异戊酸异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊酸异丙酯 has 0 hydrogen bond donor(s) and 2 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 异戊酸异丙酯?
The CAS number of 异戊酸异丙酯 is 32665-23-9.
What is the molecular formula of 异戊酸异丙酯?
The molecular formula of 异戊酸异丙酯 is C8H16O2.
What is the molecular weight of 异戊酸异丙酯?
The molecular weight of 异戊酸异丙酯 is 144.12 g/mol.
Where can I buy 异戊酸异丙酯?
You can request a quote for 异戊酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 异戊酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.