异戊酸异戊酯
TL;DR: 异戊酸异戊酯 (CAS 659-70-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊酸异戊酯
3-methylbutyl 3-methylbutanoate
Also Known As: ISOAMYL ISOVALERATE, Isopentyl 3-methylbutanoate, 3-Methylbutyl 3-methylbutanoate, Solusterol, Apple oil
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 128.0 |
| Boiling Point | 190.00 to 191.00 °C. @ 760.00 mm Hg |
| Density | 0.851 - 0.857 |
| Solubility | Soluble in most fixed oils, slightly soluble in propylene glycol, insoluble in water |
| Refractive Index | 1.411 - 1.414 |
Chemical Identifiers
| CAS Number | 659-70-1 |
|---|---|
| SMILES | CC(C)CCOC(=O)CC(C)C |
| InChIKey | XINCECQTMHSORG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊酸异戊酯 (CAS 659-70-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 3-methylbutyl 3-methylbutanoate.
Chemical Property Profile of 异戊酸异戊酯
Property Insights of 异戊酸异戊酯
The XLogP value of 3.1 indicates that 异戊酸异戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 异戊酸异戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊酸异戊酯 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 异戊酸异戊酯?
The CAS number of 异戊酸异戊酯 is 659-70-1.
What is the molecular formula of 异戊酸异戊酯?
The molecular formula of 异戊酸异戊酯 is C10H20O2.
What is the molecular weight of 异戊酸异戊酯?
The molecular weight of 异戊酸异戊酯 is 172.15 g/mol.
Where can I buy 异戊酸异戊酯?
You can request a quote for 异戊酸异戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊酸异戊酯?
Yes, KEHONG BIO provides custom synthesis services for 异戊酸异戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.