(2-Phenyl-1,3-dioxan-5-yl) octadecanoate
TL;DR: (2-Phenyl-1,3-dioxan-5-yl) octadecanoate (CAS 56554-39-3) is a chemical compound with molecular formula C28H46O4 and molecular weight 446.34 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) octadecanoate
Also Known As: 2-Phenyl-1,3-dioxan-5-yl stearate, (2-phenyl-1,3-dioxan-5-yl) octadecanoate, Stearicacid2-phenyl-1,3-dioxan-5-ylester, 2-Phenyl-1,3-dioxan-5-yl stearate #, 2-phenyl-1,3-dioxan-5-yl octadecanoate
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 56554-39-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC1COC(OC1)C2=CC=CC=C2 |
| InChIKey | YWQNNPRTGZIYIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Phenyl-1,3-dioxan-5-yl) octadecanoate (CAS 56554-39-3), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: (2-phenyl-1,3-dioxan-5-yl) octadecanoate.
Chemical Property Profile of (2-Phenyl-1,3-dioxan-5-yl) octadecanoate
Property Insights of (2-Phenyl-1,3-dioxan-5-yl) octadecanoate
The XLogP value of 9.7 indicates that (2-Phenyl-1,3-dioxan-5-yl) octadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, (2-Phenyl-1,3-dioxan-5-yl) octadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Phenyl-1,3-dioxan-5-yl) octadecanoate 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 (2-Phenyl-1,3-dioxan-5-yl) octadecanoate?
The CAS number of (2-Phenyl-1,3-dioxan-5-yl) octadecanoate is 56554-39-3.
What is the molecular formula of (2-Phenyl-1,3-dioxan-5-yl) octadecanoate?
The molecular formula of (2-Phenyl-1,3-dioxan-5-yl) octadecanoate is C28H46O4.
What is the molecular weight of (2-Phenyl-1,3-dioxan-5-yl) octadecanoate?
The molecular weight of (2-Phenyl-1,3-dioxan-5-yl) octadecanoate is 446.34 g/mol.
Where can I buy (2-Phenyl-1,3-dioxan-5-yl) octadecanoate?
You can request a quote for (2-Phenyl-1,3-dioxan-5-yl) octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Phenyl-1,3-dioxan-5-yl) octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Phenyl-1,3-dioxan-5-yl) octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.