Octadecyl cyanoacetate
TL;DR: Octadecyl cyanoacetate (CAS 71888-58-9) is a chemical compound with molecular formula C21H39NO2 and molecular weight 337.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 2-cyanoacetate
Also Known As: Octadecyl cyanoacetate, octadecyl 2-cyanoacetate, EINECS 276-147-1, Cyanoacetic acid, octadecyl ester, 2-Cyanoacetic acid octadecyl ester
| Molecular Formula | C21H39NO2 |
|---|---|
| Molecular Weight | 337.30 g/mol |
| LogP | 6.70478 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 337.29807 |
| Heavy Atoms | 24 |
| Complexity | 309.45084 |
Chemical Identifiers
| CAS Number | 71888-58-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC#N |
Product Overview
Octadecyl cyanoacetate (CAS 71888-58-9), with molecular formula C21H39NO2 and molecular weight 337.30 g/mol. IUPAC: octadecyl 2-cyanoacetate.
Chemical Property Profile of Octadecyl cyanoacetate
Property Insights of Octadecyl cyanoacetate
The XLogP value of 6.70478 indicates that Octadecyl cyanoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Octadecyl cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl cyanoacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecyl cyanoacetate?
The CAS number of Octadecyl cyanoacetate is 71888-58-9.
What is the molecular formula of Octadecyl cyanoacetate?
The molecular formula of Octadecyl cyanoacetate is C21H39NO2.
What is the molecular weight of Octadecyl cyanoacetate?
The molecular weight of Octadecyl cyanoacetate is 337.30 g/mol.
Where can I buy Octadecyl cyanoacetate?
You can request a quote for Octadecyl cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.