![N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide structure](/static/products/3216/321686-59-3.webp)
N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide
TL;DR: N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide (CAS 321686-59-3) is a chemical compound with molecular formula C17H18Cl3N3OS and molecular weight 417.02362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide
Also Known As: N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide, N-{2,2,2-trichloro-1-[(naphthalen-1-ylcarbamothioyl)amino]ethyl}butanamide
Technical Specifications
| Molecular Formula | C17H18Cl3N3OS |
| Molecular Weight | 417.02362 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.02362 Da |
| Heavy Atoms | 25 |
| Complexity | 473.0 |
| SMILES | CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC2=CC=CC=C21 |
| InChIKey | MRACTILJNJIDJP-UHFFFAOYSA-N |
Chemical Property Profile of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide
Property Insights of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide
The XLogP value of 4.2 indicates that N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide. Following Lipinski's Rule of Five, N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide?
The CAS number of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide is 321686-59-3.
What is the molecular formula of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide?
The molecular formula of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide is C17H18Cl3N3OS.
What is the molecular weight of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide?
The molecular weight of N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide is 417.02362 g/mol.
Where can I buy N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide?
You can request a quote for N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide?
Yes, CoreyChem provides custom synthesis services for N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.