N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide
TL;DR: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide (CAS 727674-53-5) is a chemical compound with molecular formula C17H12F3NO4 and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide
Also Known As: BAS 13091470, N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide, A3766/0159735, N-(6-Acetyl-benzo[1,3]dioxol-5-yl)-3-trifluoromethyl-benzamide
| Molecular Formula | C17H12F3NO4 |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 3.889 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.07184 |
| Heavy Atoms | 25 |
| Complexity | 861.45685 |
Chemical Identifiers
| CAS Number | 727674-53-5 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=CC=C3)C(F)(F)F)OCO2 |
Product Overview
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide (CAS 727674-53-5), with molecular formula C17H12F3NO4 and molecular weight 351.07 g/mol. IUPAC: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide
Property Insights of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide
The XLogP value of 3.889 indicates that N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide. Following Lipinski's Rule of Five, N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide 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 N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide?
The CAS number of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide is 727674-53-5.
What is the molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide?
The molecular formula of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide is C17H12F3NO4.
What is the molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide?
The molecular weight of N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide is 351.07 g/mol.
Where can I buy N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide?
You can request a quote for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.