2-Phenyl-1,3-dioxan-5-yl icosanoate
TL;DR: 2-Phenyl-1,3-dioxan-5-yl icosanoate (CAS 57156-90-8) is a chemical compound with molecular formula C30H50O4 and molecular weight 474.37 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) icosanoate
Also Known As: 2-Phenyl-1,3-dioxan-5-yl icosanoate, (2-phenyl-1,3-dioxan-5-yl) icosanoate, 2-Phenyl-1,3-dioxan-5-yl icosanoate #, Eicosanoic acid, 2-phenyl-1,3-dioxan-5-yl ester, Icosanoic acid 2-phenyl-1,3-dioxan-5-yl ester
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.37 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 57156-90-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OC1COC(OC1)C2=CC=CC=C2 |
| InChIKey | PKQIRKZUHHUFAG-UHFFFAOYSA-N |
Product Overview
2-Phenyl-1,3-dioxan-5-yl icosanoate (CAS 57156-90-8), with molecular formula C30H50O4 and molecular weight 474.37 g/mol. IUPAC: (2-phenyl-1,3-dioxan-5-yl) icosanoate.
Chemical Property Profile of 2-Phenyl-1,3-dioxan-5-yl icosanoate
Property Insights of 2-Phenyl-1,3-dioxan-5-yl icosanoate
The XLogP value of 10.8 indicates that 2-Phenyl-1,3-dioxan-5-yl icosanoate 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 icosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,3-dioxan-5-yl icosanoate 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 icosanoate?
The CAS number of 2-Phenyl-1,3-dioxan-5-yl icosanoate is 57156-90-8.
What is the molecular formula of 2-Phenyl-1,3-dioxan-5-yl icosanoate?
The molecular formula of 2-Phenyl-1,3-dioxan-5-yl icosanoate is C30H50O4.
What is the molecular weight of 2-Phenyl-1,3-dioxan-5-yl icosanoate?
The molecular weight of 2-Phenyl-1,3-dioxan-5-yl icosanoate is 474.37 g/mol.
Where can I buy 2-Phenyl-1,3-dioxan-5-yl icosanoate?
You can request a quote for 2-Phenyl-1,3-dioxan-5-yl icosanoate 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 icosanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,3-dioxan-5-yl icosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.