Isoamyl 2-cyanoacrylate
TL;DR: Isoamyl 2-cyanoacrylate (CAS 19475-26-4) 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.
3-methylbutyl 2-cyanoprop-2-enoate
Also Known As: Isoamyl 2-cyanoacrylate, isopentyl 2-cyanoacrylate, isoamyl cyanoacrylate, 3-methylbutyl 2-cyanoprop-2-enoate, isopentyl cyanoacrylate
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 19475-26-4 |
|---|---|
| SMILES | CC(C)CCOC(=O)C(=C)C#N |
| InChIKey | GASDVTHQNCFANM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl 2-cyanoacrylate (CAS 19475-26-4), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 3-methylbutyl 2-cyanoprop-2-enoate.
Chemical Property Profile of Isoamyl 2-cyanoacrylate
Property Insights of Isoamyl 2-cyanoacrylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl 2-cyanoacrylate. With a topological polar surface area (TPSA) of 50.1 Ų, Isoamyl 2-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 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 Isoamyl 2-cyanoacrylate?
The CAS number of Isoamyl 2-cyanoacrylate is 19475-26-4.
What is the molecular formula of Isoamyl 2-cyanoacrylate?
The molecular formula of Isoamyl 2-cyanoacrylate is C9H13NO2.
What is the molecular weight of Isoamyl 2-cyanoacrylate?
The molecular weight of Isoamyl 2-cyanoacrylate is 167.09 g/mol.
Where can I buy Isoamyl 2-cyanoacrylate?
You can request a quote for Isoamyl 2-cyanoacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl 2-cyanoacrylate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl 2-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.