3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide
TL;DR: 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide (CAS 406915-57-9) is a chemical compound with molecular formula C17H13Br3Cl3N3OS and molecular weight 648.74 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-[(2,6-dibromo-4-methylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 3-BR-N-(2,2,2-TRI-CL-1-(((2,6-DI-BR-4-ME-ANILINO)CARBOTHIOYL)AMINO)ET)BENZAMIDE, 3-bromo-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methyl-phenyl)thiocarbamoylamino]ethyl]benzamide, 3-bromo-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methylphenyl)carbamothioylamino]ethyl]benzamide, 655-678-6, RefChem:498090
| Molecular Formula | C17H13Br3Cl3N3OS |
|---|---|
| Molecular Weight | 648.74 g/mol |
| LogP | 6.69522 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 648.7395 |
| Heavy Atoms | 28 |
| Complexity | 885.69684 |
Chemical Identifiers
| CAS Number | 406915-57-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Br)Br |
Product Overview
3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide (CAS 406915-57-9), with molecular formula C17H13Br3Cl3N3OS and molecular weight 648.74 g/mol. IUPAC: 3-bromo-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide
Property Insights of 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide
The XLogP value of 6.69522 indicates that 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)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-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)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-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)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-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide?
The CAS number of 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide is 406915-57-9.
What is the molecular formula of 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide?
The molecular formula of 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide is C17H13Br3Cl3N3OS.
What is the molecular weight of 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide?
The molecular weight of 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide is 648.74 g/mol.
Where can I buy 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide?
You can request a quote for 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)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-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-BR-N-(2,2,2-Tri-CL-1-(((2,6-DI-BR-4-ME-anilino)carbothioyl)amino)ET)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.