Isostearyl Neopentanoate
TL;DR: Isostearyl Neopentanoate (CAS 58958-60-4) 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.
16-methylheptadecyl 2,2-dimethylpropanoate
Also Known As: Cyclochem INEO, Isostearyl pivalate, Isooctadecyl pivalate, ISOSTEARYL NEOPENTANOATE, Schercemol 85
| Molecular Formula | C23H46O2 |
|---|---|
| Molecular Weight | 354.35 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 354.3498 |
| Heavy Atoms | 25 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 58958-60-4 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C |
| InChIKey | JSOVGYMVTPPEND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isostearyl Neopentanoate (CAS 58958-60-4), with molecular formula C23H46O2 and molecular weight 354.35 g/mol. IUPAC: 16-methylheptadecyl 2,2-dimethylpropanoate.
Chemical Property Profile of Isostearyl Neopentanoate
Property Insights of Isostearyl Neopentanoate
The XLogP value of 10.1 indicates that Isostearyl Neopentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isostearyl Neopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isostearyl Neopentanoate 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 Isostearyl Neopentanoate?
The CAS number of Isostearyl Neopentanoate is 58958-60-4.
What is the molecular formula of Isostearyl Neopentanoate?
The molecular formula of Isostearyl Neopentanoate is C23H46O2.
What is the molecular weight of Isostearyl Neopentanoate?
The molecular weight of Isostearyl Neopentanoate is 354.35 g/mol.
Where can I buy Isostearyl Neopentanoate?
You can request a quote for Isostearyl Neopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isostearyl Neopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Isostearyl Neopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.