![N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide structure](/static/products/317/317335-69-6.png)
N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide
TL;DR: N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide (CAS 317335-69-6) is a chemical compound with molecular formula C12H11Cl3N2O4 and molecular weight 351.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide
Also Known As: N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide, N-(1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl)acetamide, N-[3-(4-Nitro-phenyl)-3-oxo-1-trichloromethyl-propyl]-acetamide
| Molecular Formula | C12H11Cl3N2O4 |
|---|---|
| Molecular Weight | 351.98 g/mol |
| LogP | 3.0425 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.97845 |
| Heavy Atoms | 21 |
| Complexity | 554.61615 |
Chemical Identifiers
| CAS Number | 317335-69-6 |
|---|---|
| SMILES | CC(=O)NC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl |
Product Overview
N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide (CAS 317335-69-6), with molecular formula C12H11Cl3N2O4 and molecular weight 351.98 g/mol. IUPAC: N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide.
Chemical Property Profile of N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide
Property Insights of N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide
The XLogP value of 3.0425 indicates that N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide. Following Lipinski's Rule of Five, N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide 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-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide?
The CAS number of N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide is 317335-69-6.
What is the molecular formula of N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide?
The molecular formula of N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide is C12H11Cl3N2O4.
What is the molecular weight of N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide?
The molecular weight of N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide is 351.98 g/mol.
Where can I buy N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide?
You can request a quote for N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.