(E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate
TL;DR: (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate (CAS 1164477-97-7) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[(E)-(2-oxocyclopentylidene)methyl]amino]benzoate
Also Known As: (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate, ethyl 2-[[(E)-(2-oxocyclopentylidene)methyl]amino]benzoate
Technical Specifications
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.12085 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.12085 Da |
| Heavy Atoms | 19 |
| Complexity | 376.0 |
| SMILES | CCOC(=O)C1=CC=CC=C1N/C=C/2\CCCC2=O |
| InChIKey | XWCDWPHWMXVTEL-ZHACJKMWSA-N |
Chemical Property Profile of (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate
Property Insights of (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)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 (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate?
The CAS number of (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate is 1164477-97-7.
What is the molecular formula of (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate?
The molecular formula of (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate is C15H17NO3.
What is the molecular weight of (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate?
The molecular weight of (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate is 259.12085 g/mol.
Where can I buy (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate?
You can request a quote for (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate?
Yes, CoreyChem provides custom synthesis services for (E)-ethyl 2-(((2-oxocyclopentylidene)methyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.