Isobutyl 3-cyanoacrylate
TL;DR: Isobutyl 3-cyanoacrylate (CAS 14056-10-1) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 3-cyanoprop-2-enoate
Also Known As: ISOBUTYL 3-CYANOACRYLATE, 2-Methylpropyl 3-cyano-2-propenoate, Acrylic acid, 3-cyano-, isobutyl ester, 2-Propenoic acid, 3-cyano-, 2-methylpropyl ester, RRE0127XKN
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.07898 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.07898 Da |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
| SMILES | CC(C)COC(=O)C=CC#N |
| InChIKey | OOGCHGUNVLXNNP-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyl 3-cyanoacrylate
Property Insights of Isobutyl 3-cyanoacrylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 3-cyanoacrylate. With a topological polar surface area (TPSA) of 50.1 Ų, Isobutyl 3-cyanoacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 3-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
What is the CAS number of Isobutyl 3-cyanoacrylate?
The CAS number of Isobutyl 3-cyanoacrylate is 14056-10-1.
What is the molecular formula of Isobutyl 3-cyanoacrylate?
The molecular formula of Isobutyl 3-cyanoacrylate is C8H11NO2.
What is the molecular weight of Isobutyl 3-cyanoacrylate?
The molecular weight of Isobutyl 3-cyanoacrylate is 153.07898 g/mol.
Where can I buy Isobutyl 3-cyanoacrylate?
You can request a quote for Isobutyl 3-cyanoacrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl 3-cyanoacrylate?
Yes, CoreyChem provides custom synthesis services for Isobutyl 3-cyanoacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.