Tert-butyl hexadecanoate
TL;DR: Tert-butyl hexadecanoate (CAS 31158-91-5) is a chemical compound with molecular formula C20H40O2 and molecular weight 312.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl hexadecanoate
Also Known As: tert-butyl hexadecanoate, t-butyl palmitate, tert-Butyl palmitate, t-butyl hexadecanoate, tert-Butyl palmitate #
| Molecular Formula | C20H40O2 |
|---|---|
| Molecular Weight | 312.30 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 312.30283 |
| Heavy Atoms | 22 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 31158-91-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)(C)C |
| InChIKey | QESUPNPIYGFLCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl hexadecanoate (CAS 31158-91-5), with molecular formula C20H40O2 and molecular weight 312.30 g/mol. IUPAC: tert-butyl hexadecanoate.
Chemical Property Profile of Tert-butyl hexadecanoate
Property Insights of Tert-butyl hexadecanoate
The XLogP value of 8.4 indicates that Tert-butyl hexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl hexadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl hexadecanoate 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 Tert-butyl hexadecanoate?
The CAS number of Tert-butyl hexadecanoate is 31158-91-5.
What is the molecular formula of Tert-butyl hexadecanoate?
The molecular formula of Tert-butyl hexadecanoate is C20H40O2.
What is the molecular weight of Tert-butyl hexadecanoate?
The molecular weight of Tert-butyl hexadecanoate is 312.30 g/mol.
Where can I buy Tert-butyl hexadecanoate?
You can request a quote for Tert-butyl hexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl hexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl hexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.