Ethyl oxo((phenylmethyl)amino)acetate
TL;DR: Ethyl oxo((phenylmethyl)amino)acetate (CAS 7142-72-5) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylamino)-2-oxoacetate
Also Known As: ethyl benzyloxamate, Ethyl ester, ethyl (benzylamino)(oxo)acetate, ethyl (benzylcarbamoyl)formate, Ethyl oxo((phenylmethyl)amino)acetate
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 7142-72-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)NCC1=CC=CC=C1 |
| InChIKey | SWKANMPANJTPHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl oxo((phenylmethyl)amino)acetate (CAS 7142-72-5), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 2-(benzylamino)-2-oxoacetate.
Chemical Property Profile of Ethyl oxo((phenylmethyl)amino)acetate
Property Insights of Ethyl oxo((phenylmethyl)amino)acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl oxo((phenylmethyl)amino)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl oxo((phenylmethyl)amino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl oxo((phenylmethyl)amino)acetate has 1 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 Ethyl oxo((phenylmethyl)amino)acetate?
The CAS number of Ethyl oxo((phenylmethyl)amino)acetate is 7142-72-5.
What is the molecular formula of Ethyl oxo((phenylmethyl)amino)acetate?
The molecular formula of Ethyl oxo((phenylmethyl)amino)acetate is C11H13NO3.
What is the molecular weight of Ethyl oxo((phenylmethyl)amino)acetate?
The molecular weight of Ethyl oxo((phenylmethyl)amino)acetate is 207.09 g/mol.
Where can I buy Ethyl oxo((phenylmethyl)amino)acetate?
You can request a quote for Ethyl oxo((phenylmethyl)amino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl oxo((phenylmethyl)amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl oxo((phenylmethyl)amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.