Butyl 4-(2-chloroacetamido)benzoate
TL;DR: Butyl 4-(2-chloroacetamido)benzoate (CAS 116489-97-5) is a chemical compound with molecular formula C13H16ClNO3 and molecular weight 269.08188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 4-[(2-chloroacetyl)amino]benzoate
Also Known As: butyl 4-[(chloroacetyl)amino]benzoate, butyl 4-(2-chloroacetamido)benzoate, butyl 4-[(2-chloroacetyl)amino]benzoate, Butyl 4-(Chloroacetyl)aminobenzoate, 8302AC
Technical Specifications
| Molecular Formula | C13H16ClNO3 |
| Molecular Weight | 269.08188 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.08188 Da |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCl |
| InChIKey | OAGNXKQRLZIKND-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 4-(2-chloroacetamido)benzoate
Property Insights of Butyl 4-(2-chloroacetamido)benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-(2-chloroacetamido)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Butyl 4-(2-chloroacetamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-(2-chloroacetamido)benzoate 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 Butyl 4-(2-chloroacetamido)benzoate?
The CAS number of Butyl 4-(2-chloroacetamido)benzoate is 116489-97-5.
What is the molecular formula of Butyl 4-(2-chloroacetamido)benzoate?
The molecular formula of Butyl 4-(2-chloroacetamido)benzoate is C13H16ClNO3.
What is the molecular weight of Butyl 4-(2-chloroacetamido)benzoate?
The molecular weight of Butyl 4-(2-chloroacetamido)benzoate is 269.08188 g/mol.
Where can I buy Butyl 4-(2-chloroacetamido)benzoate?
You can request a quote for Butyl 4-(2-chloroacetamido)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 4-(2-chloroacetamido)benzoate?
Yes, CoreyChem provides custom synthesis services for Butyl 4-(2-chloroacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.