2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide
TL;DR: 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide (CAS 333778-31-7) is a chemical compound with molecular formula C13H11ClN2O3S and molecular weight 310.01788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-N-(3-nitrophenyl)-N-(thiophen-2-ylmethyl)acetamide
Also Known As: 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide, BAS 01029737, 2-chloro-N-(3-nitrophenyl)-N-[(thiophen-2-yl)methyl]acetamide, 2-chloro-N-(3-nitrophenyl)-N-(thiophen-2-ylmethyl)acetamide, 3-Amino-3-(4-isopropoxy-phenyl)-propionic acid
Technical Specifications
| Molecular Formula | C13H11ClN2O3S |
| Molecular Weight | 310.01788 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 94.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.01788 Da |
| Heavy Atoms | 20 |
| Complexity | 364.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N(CC2=CC=CS2)C(=O)CCl |
| InChIKey | ZDKFSBQBKVSWKT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide
Property Insights of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide. Following Lipinski's Rule of Five, 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide?
The CAS number of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide is 333778-31-7.
What is the molecular formula of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide?
The molecular formula of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide is C13H11ClN2O3S.
What is the molecular weight of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide?
The molecular weight of 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide is 310.01788 g/mol.
Where can I buy 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide?
You can request a quote for 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-N-(3-nitro-phenyl)-N-thiophen-2-ylmethyl-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.