Pentyl 2-cyanoacrylate
TL;DR: Pentyl 2-cyanoacrylate (CAS 6701-15-1) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-cyanoprop-2-enoate
Also Known As: Pentyl 2-cyanoacrylate, pentyl cyanoacrylate, pentyl 2-cyanoprop-2-enoate, OCRYLATE, pentyl2-cyanoacrylate
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 6701-15-1 |
|---|---|
| SMILES | CCCCCOC(=O)C(=C)C#N |
| InChIKey | SXRFXXNXVPFXDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2-cyanoacrylate (CAS 6701-15-1), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: pentyl 2-cyanoprop-2-enoate.
Chemical Property Profile of Pentyl 2-cyanoacrylate
Property Insights of Pentyl 2-cyanoacrylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 2-cyanoacrylate. With a topological polar surface area (TPSA) of 50.1 Ų, Pentyl 2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 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 Pentyl 2-cyanoacrylate?
The CAS number of Pentyl 2-cyanoacrylate is 6701-15-1.
What is the molecular formula of Pentyl 2-cyanoacrylate?
The molecular formula of Pentyl 2-cyanoacrylate is C9H13NO2.
What is the molecular weight of Pentyl 2-cyanoacrylate?
The molecular weight of Pentyl 2-cyanoacrylate is 167.09 g/mol.
Where can I buy Pentyl 2-cyanoacrylate?
You can request a quote for Pentyl 2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.