![4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide structure](/static/products/2946/294657-54-8.webp)
4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
TL;DR: 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide (CAS 294657-54-8) is a chemical compound with molecular formula C25H24Cl3N5OS and molecular weight 547.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]benzamide
Also Known As: 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide, 4-ME-N-(2,2,2-TRICHLORO-1-(3-(2-ME-4-O-TOLYLAZO-PH)-THIOUREIDO)-ETHYL)-BENZAMIDE, 4-methyl-N-[2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]benzamide, 4-METHYL-N-{2,2,2-TRICHLORO-1-[({2-METHYL-4-[(1E)-2-(2-METHYLPHENYL)DIAZEN-1-YL]PHENYL}CARBAMOTHIOYL)AMINO]ETHYL}BENZAMIDE, Benzamide, 4-methyl-N-[2,2,2-trichloro-1-[[[[2-methyl-4-[2-(2-methylphenyl)diazenyl]phenyl]amino]thioxomethyl]amino]ethyl]-
| Molecular Formula | C25H24Cl3N5OS |
|---|---|
| Molecular Weight | 547.08 g/mol |
| LogP | 7.43996 |
| Topological Polar Surface Area | 77.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.0767 |
| Heavy Atoms | 35 |
| Complexity | 1242.5948 |
Chemical Identifiers
| CAS Number | 294657-54-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)N=NC3=CC=CC=C3C)C |
Product Overview
4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide (CAS 294657-54-8), with molecular formula C25H24Cl3N5OS and molecular weight 547.08 g/mol. IUPAC: 4-methyl-N-[2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
Property Insights of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
The XLogP value of 7.43996 indicates that 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide. Following Lipinski's Rule of Five, 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
The CAS number of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide is 294657-54-8.
What is the molecular formula of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
The molecular formula of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide is C25H24Cl3N5OS.
What is the molecular weight of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
The molecular weight of 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide is 547.08 g/mol.
Where can I buy 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
You can request a quote for 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)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-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.