2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide
TL;DR: 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide (CAS 294658-25-6) 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.
2-phenyl-N-[2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]acetamide
Also Known As: 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide, (E)-2-phenyl-N-(2,2,2-trichloro-1-(3-(2-methyl-4-(o-tolyldiazenyl)phenyl)thioureido)ethyl)acetamide, 2-PHENYL-N-{2,2,2-TRICHLORO-1-[({2-METHYL-4-[(1E)-2-(2-METHYLPHENYL)DIAZEN-1-YL]PHENYL}CARBAMOTHIOYL)AMINO]ETHYL}ACETAMIDE, 2-phenyl-N-[2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]acetamide, 2-PHENYL-N-{2,2,2-TRICHLORO-1-[({2-METHYL-4-[(E)-(2-METHYLPHENYL)DIAZENYL]ANILINO}CARBOTHIOYL)AMINO]ETHYL}ACETAMIDE
| Molecular Formula | C25H24Cl3N5OS |
|---|---|
| Molecular Weight | 547.08 g/mol |
| LogP | 7.06044 |
| Topological Polar Surface Area | 77.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.0767 |
| Heavy Atoms | 35 |
| Complexity | 1215.2242 |
Chemical Identifiers
| CAS Number | 294658-25-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC3=CC=CC=C3)C |
Product Overview
2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide (CAS 294658-25-6), with molecular formula C25H24Cl3N5OS and molecular weight 547.08 g/mol. IUPAC: 2-phenyl-N-[2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]acetamide.
Chemical Property Profile of 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide
Property Insights of 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide
The XLogP value of 7.06044 indicates that 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide 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 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide. Following Lipinski's Rule of Five, 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide 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 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide?
The CAS number of 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide is 294658-25-6.
What is the molecular formula of 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide?
The molecular formula of 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide is C25H24Cl3N5OS.
What is the molecular weight of 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide?
The molecular weight of 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide is 547.08 g/mol.
Where can I buy 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide?
You can request a quote for 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-N-{2,2,2-trichloro-1-[({2-methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}carbamothioyl)amino]ethyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.