Isoamyl nonanoate
TL;DR: Isoamyl nonanoate (CAS 7779-70-6) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl nonanoate
Also Known As: Isoamyl nonanoate, 3-Methylbutyl nonanoate, Isoamyl nonoate, Isoamyl nonylate, Isoamyl pelargonate
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 7779-70-6 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCC(C)C |
| InChIKey | SHGMLOSSRPFLKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl nonanoate (CAS 7779-70-6), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 3-methylbutyl nonanoate.
Chemical Property Profile of Isoamyl nonanoate
Property Insights of Isoamyl nonanoate
The XLogP value of 5.3 indicates that Isoamyl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isoamyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl nonanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoamyl nonanoate?
The CAS number of Isoamyl nonanoate is 7779-70-6.
What is the molecular formula of Isoamyl nonanoate?
The molecular formula of Isoamyl nonanoate is C14H28O2.
What is the molecular weight of Isoamyl nonanoate?
The molecular weight of Isoamyl nonanoate is 228.21 g/mol.
Where can I buy Isoamyl nonanoate?
You can request a quote for Isoamyl nonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.