2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate
TL;DR: 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate (CAS 1026450-12-3) is a chemical compound with molecular formula C17H16ClNO3 and molecular weight 317.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-(2-phenylethylamino)ethyl] 3-chlorobenzoate
Also Known As: 2-oxo-2-(phenethylamino)ethyl 3-chlorobenzoate, Phenethylcarbamoylmethyl 3-chlorobenzoate, [2-oxo-2-(2-phenylethylamino)ethyl] 3-chlorobenzoate, [2-oxo-2-(phenethylamino)ethyl] 3-chlorobenzoate, [(2-PHENYLETHYL)CARBAMOYL]METHYL 3-CHLOROBENZOATE
Technical Specifications
| Molecular Formula | C17H16ClNO3 |
| Molecular Weight | 317.08188 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.08188 Da |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
| SMILES | C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | CSQSGLXZBXHLBK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate
Property Insights of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate
The XLogP value of 3.5 indicates that 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate 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
What is the CAS number of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate?
The CAS number of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate is 1026450-12-3.
What is the molecular formula of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate?
The molecular formula of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate is C17H16ClNO3.
What is the molecular weight of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate?
The molecular weight of 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate is 317.08188 g/mol.
Where can I buy 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate?
You can request a quote for 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Oxo-2-(phenethylamino)ethyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.