Octyl cyanoacetate
TL;DR: Octyl cyanoacetate (CAS 15666-97-4) is a chemical compound with molecular formula C11H19NO2 and molecular weight 197.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-cyanoacetate
Also Known As: Octyl 2-cyanoacetate, Octyl cyanoacetate, n-Octyl cyanoacetate, octylcyanoacetate, octyl2-cyanoacetate
| Molecular Formula | C11H19NO2 |
|---|---|
| Molecular Weight | 197.14 g/mol |
| LogP | 2.80378 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 197.14159 |
| Heavy Atoms | 14 |
| Complexity | 184.21678 |
Chemical Identifiers
| CAS Number | 15666-97-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CC#N |
Product Overview
Octyl cyanoacetate (CAS 15666-97-4), with molecular formula C11H19NO2 and molecular weight 197.14 g/mol. IUPAC: octyl 2-cyanoacetate.
Chemical Property Profile of Octyl cyanoacetate
Property Insights of Octyl cyanoacetate
The XLogP value of 2.80378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octyl cyanoacetate. With a topological polar surface area (TPSA) of 50.09 Ų, Octyl cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl cyanoacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl cyanoacetate?
The CAS number of Octyl cyanoacetate is 15666-97-4.
What is the molecular formula of Octyl cyanoacetate?
The molecular formula of Octyl cyanoacetate is C11H19NO2.
What is the molecular weight of Octyl cyanoacetate?
The molecular weight of Octyl cyanoacetate is 197.14 g/mol.
Where can I buy Octyl cyanoacetate?
You can request a quote for Octyl cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.