Methyl cyanoacetate
TL;DR: Methyl cyanoacetate (CAS 105-34-0) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-cyanoacetate
Also Known As: METHYL CYANOACETATE, Methyl 2-cyanoacetate, Methyl cyanoethanoate, Cyanoacetic acid methyl ester, MethylCyanoacetate
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5NO2 |
| Molecular Weight | 99.03203 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.03203 Da |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
| Vapor Pressure | 0.13 [mmHg] |
| SMILES | COC(=O)CC#N |
| InChIKey | ANGDWNBGPBMQHW-UHFFFAOYSA-N |
Chemical Property Profile of Methyl cyanoacetate
Property Insights of Methyl cyanoacetate
The XLogP value of -0.5 indicates that Methyl cyanoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, Methyl cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cyanoacetate 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 Methyl cyanoacetate?
The CAS number of Methyl cyanoacetate is 105-34-0.
What is the molecular formula of Methyl cyanoacetate?
The molecular formula of Methyl cyanoacetate is C4H5NO2.
What is the molecular weight of Methyl cyanoacetate?
The molecular weight of Methyl cyanoacetate is 99.03203 g/mol.
Where can I buy Methyl cyanoacetate?
You can request a quote for Methyl cyanoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl cyanoacetate?
Yes, CoreyChem provides custom synthesis services for Methyl cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.