Ethyl 2-(benzylideneamino)acetate
TL;DR: Ethyl 2-(benzylideneamino)acetate (CAS 133038-44-5) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(benzylideneamino)acetate
Also Known As: ethyl 2-(benzylideneamino)acetate, N-Benzylideneglycine Ethyl Ester, Ethyl N-Benzylideneglycinate, benzylideneglycine ethyl ester, N-Benzylideneglycine ethyl
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.09464 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.09464 Da |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
| SMILES | CCOC(=O)CN=CC1=CC=CC=C1 |
| InChIKey | PRQUMJAKVLLZHP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(benzylideneamino)acetate
Property Insights of Ethyl 2-(benzylideneamino)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(benzylideneamino)acetate. With a topological polar surface area (TPSA) of 38.7 Ų, Ethyl 2-(benzylideneamino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(benzylideneamino)acetate 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 Ethyl 2-(benzylideneamino)acetate?
The CAS number of Ethyl 2-(benzylideneamino)acetate is 133038-44-5.
What is the molecular formula of Ethyl 2-(benzylideneamino)acetate?
The molecular formula of Ethyl 2-(benzylideneamino)acetate is C11H13NO2.
What is the molecular weight of Ethyl 2-(benzylideneamino)acetate?
The molecular weight of Ethyl 2-(benzylideneamino)acetate is 191.09464 g/mol.
Where can I buy Ethyl 2-(benzylideneamino)acetate?
You can request a quote for Ethyl 2-(benzylideneamino)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(benzylideneamino)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(benzylideneamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.