Octyl 2-cyanoacrylate
TL;DR: Octyl 2-cyanoacrylate (CAS 6701-17-3) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-cyanoprop-2-enoate
Also Known As: Ocrilate, OCRYLATE, Octyl 2-cyanoacrylate, Octyl cyanoacrylate, Ocrilato
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 6701-17-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C(=C)C#N |
| InChIKey | RPQUGMLCZLGZTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl 2-cyanoacrylate (CAS 6701-17-3), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: octyl 2-cyanoprop-2-enoate.
Chemical Property Profile of Octyl 2-cyanoacrylate
Property Insights of Octyl 2-cyanoacrylate
The XLogP value of 4.1 indicates that Octyl 2-cyanoacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Octyl 2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-cyanoacrylate 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 2-cyanoacrylate?
The CAS number of Octyl 2-cyanoacrylate is 6701-17-3.
What is the molecular formula of Octyl 2-cyanoacrylate?
The molecular formula of Octyl 2-cyanoacrylate is C12H19NO2.
What is the molecular weight of Octyl 2-cyanoacrylate?
The molecular weight of Octyl 2-cyanoacrylate is 209.14 g/mol.
Where can I buy Octyl 2-cyanoacrylate?
You can request a quote for Octyl 2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl 2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Octyl 2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.