4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide
TL;DR: 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide (CAS 303062-52-4) is a chemical compound with molecular formula C18H17BrCl3N3O2S and molecular weight 522.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: BIM-0031618.P001, 4-BR-N-(2,2,2-TRICHLORO-1-(((4-ETHOXYANILINO)CARBOTHIOYL)AMINO)ETHYL)BENZAMIDE, 4-bromo-N-[2,2,2-trichloro-1-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)ethyl]benzamide, 4-bromo-N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]benzamide, 661-018-8
| Molecular Formula | C18H17BrCl3N3O2S |
|---|---|
| Molecular Weight | 522.93 g/mol |
| LogP | 5.2605 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.929 |
| Heavy Atoms | 28 |
| Complexity | 814.3207 |
Chemical Identifiers
| CAS Number | 303062-52-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)Br |
Product Overview
4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide (CAS 303062-52-4), with molecular formula C18H17BrCl3N3O2S and molecular weight 522.93 g/mol. IUPAC: 4-bromo-N-[2,2,2-trichloro-1-[(4-ethoxyphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide
Property Insights of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide
The XLogP value of 5.2605 indicates that 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide. Following Lipinski's Rule of Five, 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide?
The CAS number of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide is 303062-52-4.
What is the molecular formula of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide?
The molecular formula of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide is C18H17BrCl3N3O2S.
What is the molecular weight of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide?
The molecular weight of 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide is 522.93 g/mol.
Where can I buy 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide?
You can request a quote for 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)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-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-BR-N-(2,2,2-Trichloro-1-(((4-ethoxyanilino)carbothioyl)amino)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.