3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide
TL;DR: 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide (CAS 406915-55-7) is a chemical compound with molecular formula C16H11BrCl5N3OS and molecular weight 546.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: SALOR-INT L473359-1EA, AF-399/41669299, 3-bromo-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide, 3-BR-N-(2,2,2-TRICHLORO-1-(((2,4-DICHLOROANILINO)CARBOTHIOYL)AMINO)ET)BENZAMIDE, 3-bromo-N-(2,2,2-trichloro-1-{[(2,4-dichloroanilino)carbothioyl]amino}ethyl)benzamide
| Molecular Formula | C16H11BrCl5N3OS |
|---|---|
| Molecular Weight | 546.82 g/mol |
| LogP | 6.1686 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.8249 |
| Heavy Atoms | 27 |
| Complexity | 862.18964 |
Chemical Identifiers
| CAS Number | 406915-55-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)Cl)Cl |
Product Overview
3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide (CAS 406915-55-7), with molecular formula C16H11BrCl5N3OS and molecular weight 546.82 g/mol. IUPAC: 3-bromo-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide
Property Insights of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide
The XLogP value of 6.1686 indicates that 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide?
The CAS number of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide is 406915-55-7.
What is the molecular formula of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide?
The molecular formula of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide is C16H11BrCl5N3OS.
What is the molecular weight of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide?
The molecular weight of 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide is 546.82 g/mol.
Where can I buy 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide?
You can request a quote for 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-BR-N-(2,2,2-Trichloro-1-(((2,4-dichloroanilino)carbothioyl)amino)ET)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.