Cyanoethyl methacrylate
TL;DR: Cyanoethyl methacrylate (CAS 4513-53-5) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl 2-methylprop-2-enoate
Also Known As: 2-Cyanoethyl methacrylate, Cyanoethyl methacrylate, b-cyanoethyl methacrylate, Beta-cyanoethyl methacrylate, 2-cyanoethyl 2-methylprop-2-enoate
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 4513-53-5 |
|---|---|
| SMILES | CC(=C)C(=O)OCCC#N |
| InChIKey | VKNASXZDGZNEDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanoethyl methacrylate (CAS 4513-53-5), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 2-cyanoethyl 2-methylprop-2-enoate.
Chemical Property Profile of Cyanoethyl methacrylate
Property Insights of Cyanoethyl methacrylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanoethyl methacrylate. With a topological polar surface area (TPSA) of 50.1 Ų, Cyanoethyl methacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyanoethyl methacrylate 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 Cyanoethyl methacrylate?
The CAS number of Cyanoethyl methacrylate is 4513-53-5.
What is the molecular formula of Cyanoethyl methacrylate?
The molecular formula of Cyanoethyl methacrylate is C7H9NO2.
What is the molecular weight of Cyanoethyl methacrylate?
The molecular weight of Cyanoethyl methacrylate is 139.06 g/mol.
Where can I buy Cyanoethyl methacrylate?
You can request a quote for Cyanoethyl methacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanoethyl methacrylate?
Yes, KEHONG BIO provides custom synthesis services for Cyanoethyl methacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.