![[2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate structure](/static/products/100/1002017-78-8.png)
[2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate
TL;DR: [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate (CAS 1002017-78-8) is a chemical compound with molecular formula C17H11ClF3NO4 and molecular weight 385.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate
Also Known As: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate|{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}METHYL 4-FORMYLBENZOATE|EN300-26584786
| Molecular Formula | C17H11ClF3NO4 |
|---|---|
| Molecular Weight | 385.03 g/mol |
| LogP | 3.9668 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.03287 |
| Heavy Atoms | 26 |
| Complexity | 834.8919 |
Chemical Identifiers
| CAS Number | 1002017-78-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F |
Product Overview
[2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate (CAS 1002017-78-8), with molecular formula C17H11ClF3NO4 and molecular weight 385.03 g/mol. IUPAC: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate.
Chemical Property Profile of [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate
Property Insights of [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate
The XLogP value of 3.9668 indicates that [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate. Following Lipinski's Rule of Five, [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate has 1 hydrogen bond donor(s) and 4 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-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate?
The CAS number of [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate is 1002017-78-8.
What is the molecular formula of [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate?
The molecular formula of [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate is C17H11ClF3NO4.
What is the molecular weight of [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate?
The molecular weight of [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate is 385.03 g/mol.
Where can I buy [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate?
You can request a quote for [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[4-Chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 4-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.