Benzyl docosanoate
TL;DR: Benzyl docosanoate (CAS 85263-74-7) is a chemical compound with molecular formula C29H50O2 and molecular weight 430.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl docosanoate
Also Known As: Benzyl docosanoate, benzyl n-docosanoate, Phenylmethyl docosanoate, Behenic acid benzyl ester, Docosanoic acid, phenylmethylester
| Molecular Formula | C29H50O2 |
|---|---|
| Molecular Weight | 430.38 g/mol |
| LogP | 9.5517 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 430.38107 |
| Heavy Atoms | 31 |
| Complexity | 496.71823 |
Chemical Identifiers
| CAS Number | 85263-74-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1 |
Product Overview
Benzyl docosanoate (CAS 85263-74-7), with molecular formula C29H50O2 and molecular weight 430.38 g/mol. IUPAC: benzyl docosanoate.
Chemical Property Profile of Benzyl docosanoate
Property Insights of Benzyl docosanoate
The XLogP value of 9.5517 indicates that Benzyl docosanoate 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 docosanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl docosanoate 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 docosanoate?
The CAS number of Benzyl docosanoate is 85263-74-7.
What is the molecular formula of Benzyl docosanoate?
The molecular formula of Benzyl docosanoate is C29H50O2.
What is the molecular weight of Benzyl docosanoate?
The molecular weight of Benzyl docosanoate is 430.38 g/mol.
Where can I buy Benzyl docosanoate?
You can request a quote for Benzyl docosanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl docosanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl docosanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.