Isopropyl Isostearate
TL;DR: Isopropyl Isostearate (CAS 68171-33-5) is a chemical compound with molecular formula C21H42O2 and molecular weight 326.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 16-methylheptadecanoate
Also Known As: Isopropyl isostearate, Nikkol IPIS, Wickenol 131, 2-Propyl isooctadecanoate, Isopropyl isodecanoate
| Molecular Formula | C21H42O2 |
|---|---|
| Molecular Weight | 326.32 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 326.31848 |
| Heavy Atoms | 23 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 68171-33-5 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C |
| InChIKey | NEOZOXKVMDBOSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl Isostearate (CAS 68171-33-5), with molecular formula C21H42O2 and molecular weight 326.32 g/mol. IUPAC: propan-2-yl 16-methylheptadecanoate.
Chemical Property Profile of Isopropyl Isostearate
Property Insights of Isopropyl Isostearate
The XLogP value of 9.0 indicates that Isopropyl Isostearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl Isostearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl Isostearate 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 Isopropyl Isostearate?
The CAS number of Isopropyl Isostearate is 68171-33-5.
What is the molecular formula of Isopropyl Isostearate?
The molecular formula of Isopropyl Isostearate is C21H42O2.
What is the molecular weight of Isopropyl Isostearate?
The molecular weight of Isopropyl Isostearate is 326.32 g/mol.
Where can I buy Isopropyl Isostearate?
You can request a quote for Isopropyl Isostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl Isostearate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl Isostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.