Heptyl isobutyrate
TL;DR: Heptyl isobutyrate (CAS 2349-13-5) 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.
heptyl 2-methylpropanoate
Also Known As: Heptyl 2-methylpropanoate, HEPTYL ISOBUTYRATE, Heptyl iobutyrate, Heptyl isobutanoate, HeptyI isobutyrate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.0 |
| 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 | 212.00 °C. @ 760.00 mm Hg |
| Density | 0.8625 (15°/15°) |
| Solubility | insoluble in water; soluble in organic solvents |
| Refractive Index | 1.417-1.421 |
Chemical Identifiers
| CAS Number | 2349-13-5 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C)C |
| InChIKey | RFDUMBPGZUIKOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptyl isobutyrate (CAS 2349-13-5), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: heptyl 2-methylpropanoate.
Chemical Property Profile of Heptyl isobutyrate
Property Insights of Heptyl isobutyrate
The XLogP value of 4.0 indicates that Heptyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Heptyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl isobutyrate 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 Heptyl isobutyrate?
The CAS number of Heptyl isobutyrate is 2349-13-5.
What is the molecular formula of Heptyl isobutyrate?
The molecular formula of Heptyl isobutyrate is C11H22O2.
What is the molecular weight of Heptyl isobutyrate?
The molecular weight of Heptyl isobutyrate is 186.16 g/mol.
Where can I buy Heptyl isobutyrate?
You can request a quote for Heptyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.