Methyl 2-(2-Cyanoacetamido)benzoate
TL;DR: Methyl 2-(2-Cyanoacetamido)benzoate (CAS 154325-57-2) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.06914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(2-cyanoacetyl)amino]benzoate
Also Known As: Methyl 2-(2-Cyanoacetamido)benzoate, Maybridge1_003843, methyl 2-[(cyanoacetyl)amino]benzoate, Methyl2-(2-Cyanoacetamido)benzoate, methyl 2-[(2-cyanoacetyl)amino]benzoate
Technical Specifications
| Molecular Formula | C11H10N2O3 |
| Molecular Weight | 218.06914 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.06914 Da |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CC#N |
| InChIKey | YMVMWTHSYFQYGD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(2-Cyanoacetamido)benzoate
Property Insights of Methyl 2-(2-Cyanoacetamido)benzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-Cyanoacetamido)benzoate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(2-Cyanoacetamido)benzoate. Following Lipinski's Rule of Five, Methyl 2-(2-Cyanoacetamido)benzoate has 1 hydrogen bond donor(s) and 4 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 2-(2-Cyanoacetamido)benzoate?
The CAS number of Methyl 2-(2-Cyanoacetamido)benzoate is 154325-57-2.
What is the molecular formula of Methyl 2-(2-Cyanoacetamido)benzoate?
The molecular formula of Methyl 2-(2-Cyanoacetamido)benzoate is C11H10N2O3.
What is the molecular weight of Methyl 2-(2-Cyanoacetamido)benzoate?
The molecular weight of Methyl 2-(2-Cyanoacetamido)benzoate is 218.06914 g/mol.
Where can I buy Methyl 2-(2-Cyanoacetamido)benzoate?
You can request a quote for Methyl 2-(2-Cyanoacetamido)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(2-Cyanoacetamido)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(2-Cyanoacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.