Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate
TL;DR: Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate (CAS 87967-15-5) is a chemical compound with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(4-chloroanilino)-2-oxoacetate
Also Known As: Hexyl (4-chloroanilino)(oxo)acetate, hexyl 2-(4-chloroanilino)-2-oxoacetate, Acetic acid, [(4-chlorophenyl)amino]oxo-, hexyl ester, Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate, Hexyl 2-[(4-chlorophenyl)amino]-2-oxoacetate
| Molecular Formula | C14H18ClNO3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 3.402 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.09753 |
| Heavy Atoms | 19 |
| Complexity | 417.2042 |
Chemical Identifiers
| CAS Number | 87967-15-5 |
|---|---|
| SMILES | CCCCCCOC(=O)C(=O)NC1=CC=C(C=C1)Cl |
Product Overview
Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate (CAS 87967-15-5), with molecular formula C14H18ClNO3 and molecular weight 283.10 g/mol. IUPAC: hexyl 2-(4-chloroanilino)-2-oxoacetate.
Chemical Property Profile of Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate
Property Insights of Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate
The XLogP value of 3.402 indicates that Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
The CAS number of Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate is 87967-15-5.
What is the molecular formula of Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
The molecular formula of Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate is C14H18ClNO3.
What is the molecular weight of Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
The molecular weight of Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate is 283.10 g/mol.
Where can I buy Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
You can request a quote for Hexyl 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 Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-((4-chlorophenyl)amino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.