Isobutyl nonanoate
TL;DR: Isobutyl nonanoate (CAS 35819-73-9) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl nonanoate
Also Known As: Isobutyl nonanoate, Isobutyl pelargonate, Isobutyl nonoate, 2-methylpropyl nonanoate, Isobutyl nonan-1-oate
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 35819-73-9 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(C)C |
| InChIKey | NVVLMTNIHQHZPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl nonanoate (CAS 35819-73-9), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: 2-methylpropyl nonanoate.
Chemical Property Profile of Isobutyl nonanoate
Property Insights of Isobutyl nonanoate
The XLogP value of 5.0 indicates that Isobutyl 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, Isobutyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl nonanoate 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 Isobutyl nonanoate?
The CAS number of Isobutyl nonanoate is 35819-73-9.
What is the molecular formula of Isobutyl nonanoate?
The molecular formula of Isobutyl nonanoate is C13H26O2.
What is the molecular weight of Isobutyl nonanoate?
The molecular weight of Isobutyl nonanoate is 214.19 g/mol.
Where can I buy Isobutyl nonanoate?
You can request a quote for Isobutyl nonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.