Benzyl stearate
TL;DR: Benzyl stearate (CAS 5531-65-7) is a chemical compound with molecular formula C25H42O2 and molecular weight 374.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl octadecanoate
Also Known As: Benzyl stearate, benzyl octadecanoate, benzylstearate, Benzyl stearate #, Octadecanoic Acid Phenylmethyl Ester
| Molecular Formula | C25H42O2 |
|---|---|
| Molecular Weight | 374.32 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 374.31848 |
| Heavy Atoms | 27 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 5531-65-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
| InChIKey | BPSLVNCMKDXZPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl stearate (CAS 5531-65-7), with molecular formula C25H42O2 and molecular weight 374.32 g/mol. IUPAC: benzyl octadecanoate.
Chemical Property Profile of Benzyl stearate
Property Insights of Benzyl stearate
The XLogP value of 10.0 indicates that Benzyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl stearate 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 Benzyl stearate?
The CAS number of Benzyl stearate is 5531-65-7.
What is the molecular formula of Benzyl stearate?
The molecular formula of Benzyl stearate is C25H42O2.
What is the molecular weight of Benzyl stearate?
The molecular weight of Benzyl stearate is 374.32 g/mol.
Where can I buy Benzyl stearate?
You can request a quote for Benzyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl stearate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.