![[2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate structure](/static/products/1002/1002663-41-3.webp)
[2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate
TL;DR: [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate (CAS 1002663-41-3) is a chemical compound with molecular formula C16H14FNO3 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-fluoroanilino)-2-oxoethyl] 4-methylbenzoate
Also Known As: [(3-fluorophenyl)carbamoyl]methyl 4-methylbenzoate|[2-(3-fluoroanilino)-2-oxoethyl] 4-methylbenzoate|2-((3-fluorophenyl)amino)-2-oxoethyl 4-methylbenzoate|2-[(3-fluorophenyl)amino]-2-oxoethyl 4-methylbenzoate|F6609-1769
| Molecular Formula | C16H14FNO3 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 2.92962 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.09576 |
| Heavy Atoms | 21 |
| Complexity | 652.8266 |
Chemical Identifiers
| CAS Number | 1002663-41-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F |
Product Overview
[2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate (CAS 1002663-41-3), with molecular formula C16H14FNO3 and molecular weight 287.10 g/mol. IUPAC: [2-(3-fluoroanilino)-2-oxoethyl] 4-methylbenzoate.
Chemical Property Profile of [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate
Property Insights of [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate
The XLogP value of 2.92962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate 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-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
The CAS number of [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate is 1002663-41-3.
What is the molecular formula of [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
The molecular formula of [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate is C16H14FNO3.
What is the molecular weight of [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
The molecular weight of [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate is 287.10 g/mol.
Where can I buy [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
You can request a quote for [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Fluoroanilino)-2-oxoethyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.