![2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate structure](/static/products/100/1002903-54-9.png)
2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
TL;DR: 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate (CAS 1002903-54-9) is a chemical compound with molecular formula C17H16FNO3 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-fluoroanilino)-2-oxoethyl] 3,4-dimethylbenzoate
Also Known As: AB01278503-01, 2-[(3-fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate, [2-(3-fluoroanilino)-2-oxoethyl] 3,4-dimethylbenzoate
| Molecular Formula | C17H16FNO3 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 3.23804 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.11142 |
| Heavy Atoms | 22 |
| Complexity | 712.8003 |
Chemical Identifiers
| CAS Number | 1002903-54-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)F)C |
Product Overview
2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate (CAS 1002903-54-9), with molecular formula C17H16FNO3 and molecular weight 301.11 g/mol. IUPAC: [2-(3-fluoroanilino)-2-oxoethyl] 3,4-dimethylbenzoate.
Chemical Property Profile of 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
Property Insights of 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
The XLogP value of 3.23804 indicates that 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate 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-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate 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-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate?
The CAS number of 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate is 1002903-54-9.
What is the molecular formula of 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate?
The molecular formula of 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate is C17H16FNO3.
What is the molecular weight of 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate?
The molecular weight of 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate is 301.11 g/mol.
Where can I buy 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate?
You can request a quote for 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Fluorophenyl)amino]-2-oxoethyl 3,4-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.