Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate
TL;DR: Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate (CAS 38285-83-5) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(4-chloroanilino)-2-oxoacetate
Also Known As: butyl 2-(4-chloroanilino)-2-oxoacetate, butyl [(4-chlorophenyl)carbamoyl]formate, butyl 2-((4-chlorophenyl)amino)-2-oxoacetate, butyl [N-(4-chlorophenyl)carbamoyl]formate, 1-(N-p-chlorophenylcarbamoylcarbonyloxy)butane
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.6218 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 389.24216 |
Chemical Identifiers
| CAS Number | 38285-83-5 |
|---|---|
| SMILES | CCCCOC(=O)C(=O)NC1=CC=C(C=C1)Cl |
Product Overview
Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate (CAS 38285-83-5), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: butyl 2-(4-chloroanilino)-2-oxoacetate.
Chemical Property Profile of Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate
Property Insights of Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate
The XLogP value of 2.6218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate 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 Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
The CAS number of Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate is 38285-83-5.
What is the molecular formula of Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
The molecular formula of Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate is C12H14ClNO3.
What is the molecular weight of Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
The molecular weight of Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate is 255.07 g/mol.
Where can I buy Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
You can request a quote for Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-((4-chlorophenyl)amino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.