![2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate structure](/static/products/389/389809-96-5.png)
2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate
TL;DR: 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate (CAS 389809-96-5) is a chemical compound with molecular formula C16H13ClFNO3 and molecular weight 321.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-fluorobenzoate
Also Known As: 2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate, [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-fluorobenzoate, 2-((5-chloro-2-methylphenyl)amino)-2-oxoethyl 2-fluorobenzoate
| Molecular Formula | C16H13ClFNO3 |
|---|---|
| Molecular Weight | 321.06 g/mol |
| LogP | 3.58302 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.0568 |
| Heavy Atoms | 22 |
| Complexity | 718.2872 |
Chemical Identifiers
| CAS Number | 389809-96-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=CC=C2F |
Product Overview
2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate (CAS 389809-96-5), with molecular formula C16H13ClFNO3 and molecular weight 321.06 g/mol. IUPAC: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-fluorobenzoate.
Chemical Property Profile of 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate
Property Insights of 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate
The XLogP value of 3.58302 indicates that 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate 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-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate 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 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate?
The CAS number of 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate is 389809-96-5.
What is the molecular formula of 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate?
The molecular formula of 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate is C16H13ClFNO3.
What is the molecular weight of 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate?
The molecular weight of 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate is 321.06 g/mol.
Where can I buy 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate?
You can request a quote for 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Chloro-2-methylphenyl)amino]-2-oxoethyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.