Isoamyl stearate
TL;DR: Isoamyl stearate (CAS 627-88-3) is a chemical compound with molecular formula C23H46O2 and molecular weight 354.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl octadecanoate
Also Known As: Isopentyl stearate, isoamyl stearate, 3-methylbutyl octadecanoate, isopentylstearate, 3-methylbutyl stearate
| Molecular Formula | C23H46O2 |
|---|---|
| Molecular Weight | 354.35 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 354.3498 |
| Heavy Atoms | 25 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 627-88-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C |
| InChIKey | WDQOEAOLRIMQDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl stearate (CAS 627-88-3), with molecular formula C23H46O2 and molecular weight 354.35 g/mol. IUPAC: 3-methylbutyl octadecanoate.
Chemical Property Profile of Isoamyl stearate
Property Insights of Isoamyl stearate
The XLogP value of 10.2 indicates that Isoamyl stearate 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 stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl stearate 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 stearate?
The CAS number of Isoamyl stearate is 627-88-3.
What is the molecular formula of Isoamyl stearate?
The molecular formula of Isoamyl stearate is C23H46O2.
What is the molecular weight of Isoamyl stearate?
The molecular weight of Isoamyl stearate is 354.35 g/mol.
Where can I buy Isoamyl stearate?
You can request a quote for Isoamyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl stearate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.