Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester
TL;DR: Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester (CAS 10588-87-1) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-1,3-dioxan-5-yl) hexadecanoate
Also Known As: 2-Palmitoyl-1,3-benzylidineglycerol, (2-phenyl-1,3-dioxan-5-yl) hexadecanoate, Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester, 2-Phenyl-1,3-dioxan-5-yl palmitate #, 2-PHENYL-1,3-DIOXAN-5-YL HEXADECANOATE
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 10588-87-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1COC(OC1)C2=CC=CC=C2 |
| InChIKey | WSWDNKINQWKQGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester (CAS 10588-87-1), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: (2-phenyl-1,3-dioxan-5-yl) hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester
Property Insights of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester
The XLogP value of 8.6 indicates that Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester?
The CAS number of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester is 10588-87-1.
What is the molecular formula of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester?
The molecular formula of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester is C26H42O4.
What is the molecular weight of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester?
The molecular weight of Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester is 418.31 g/mol.
Where can I buy Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester?
You can request a quote for Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.