庚酸异丁酯
TL;DR: 庚酸异丁酯 (CAS 7779-80-8) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
庚酸异丁酯
2-methylpropyl heptanoate
Also Known As: Isobutyl heptanoate, 2-Methylpropyl heptanoate, Isobutyl heptylate, Isobutyl heptoate, Isobutyl enanthate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 130.0 |
| Boiling Point | 95.00 to 97.00 °C. @ 12.00 mm Hg |
| Density | 0.8593 (20°) |
| Solubility | soluble in most organic solvents |
| Refractive Index | 1.420-1.425 |
Chemical Identifiers
| CAS Number | 7779-80-8 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(C)C |
| InChIKey | HXJOYVPESRRCDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
庚酸异丁酯 (CAS 7779-80-8), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2-methylpropyl heptanoate.
Chemical Property Profile of 庚酸异丁酯
Property Insights of 庚酸异丁酯
The XLogP value of 3.9 indicates that 庚酸异丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 庚酸异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 庚酸异丁酯 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 庚酸异丁酯?
The CAS number of 庚酸异丁酯 is 7779-80-8.
What is the molecular formula of 庚酸异丁酯?
The molecular formula of 庚酸异丁酯 is C11H22O2.
What is the molecular weight of 庚酸异丁酯?
The molecular weight of 庚酸异丁酯 is 186.16 g/mol.
Where can I buy 庚酸异丁酯?
You can request a quote for 庚酸异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 庚酸异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 庚酸异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.