4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide
TL;DR: 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide (CAS 303063-29-8) is a chemical compound with molecular formula C16H12Cl3FN4O3S and molecular weight 463.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[2,2,2-trichloro-1-[(4-nitrophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 4-F-N-(2,2,2-TRICHLORO-1-(((4-NITROANILINO)CARBOTHIOYL)AMINO)ETHYL)BENZAMIDE, 4-fluoro-N-[2,2,2-trichloro-1-[(4-nitrophenyl)carbamothioylamino]ethyl]benzamide, 4-fluoro-N-[2,2,2-trichloro-1-[(4-nitrophenyl)thiocarbamoylamino]ethyl]benzamide, 656-951-2, RefChem:522984
| Molecular Formula | C16H12Cl3FN4O3S |
|---|---|
| Molecular Weight | 463.97 g/mol |
| LogP | 4.1466 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.968 |
| Heavy Atoms | 28 |
| Complexity | 876.19836 |
Chemical Identifiers
| CAS Number | 303063-29-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])F |
Product Overview
4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide (CAS 303063-29-8), with molecular formula C16H12Cl3FN4O3S and molecular weight 463.97 g/mol. IUPAC: 4-fluoro-N-[2,2,2-trichloro-1-[(4-nitrophenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide
Property Insights of 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide
The XLogP value of 4.1466 indicates that 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide. Following Lipinski's Rule of Five, 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide has 3 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 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide?
The CAS number of 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide is 303063-29-8.
What is the molecular formula of 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide?
The molecular formula of 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide is C16H12Cl3FN4O3S.
What is the molecular weight of 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide?
The molecular weight of 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide is 463.97 g/mol.
Where can I buy 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide?
You can request a quote for 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-F-N-(2,2,2-Trichloro-1-(((4-nitroanilino)carbothioyl)amino)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.