![4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide structure](/static/products/2946/294657-51-5.webp)
4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
TL;DR: 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide (CAS 294657-51-5) is a chemical compound with molecular formula C23H20Cl3N5OS and molecular weight 519.05 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-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide, 4-ME-N-(2,2,2-TRICHLORO-1-(3-(4-PHENYLAZO-PHENYL)-THIOUREIDO)-ETHYL)-BENZAMIDE, 4-methyl-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide, Benzamide, 4-methyl-N-[2,2,2-trichloro-1-[[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]amino]ethyl]-
| Molecular Formula | C23H20Cl3N5OS |
|---|---|
| Molecular Weight | 519.05 g/mol |
| LogP | 6.82312 |
| Topological Polar Surface Area | 77.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 519.0454 |
| Heavy Atoms | 33 |
| Complexity | 1117.5887 |
Chemical Identifiers
| CAS Number | 294657-51-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 |
Product Overview
4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide (CAS 294657-51-5), with molecular formula C23H20Cl3N5OS and molecular weight 519.05 g/mol. IUPAC: 4-methyl-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
Property Insights of 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide
The XLogP value of 6.82312 indicates that 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]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-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide. Following Lipinski's Rule of Five, 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]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-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
The CAS number of 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide is 294657-51-5.
What is the molecular formula of 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
The molecular formula of 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide is C23H20Cl3N5OS.
What is the molecular weight of 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
The molecular weight of 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide is 519.05 g/mol.
Where can I buy 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
You can request a quote for 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]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-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-{2,2,2-trichloro-1-[({4-[(E)-phenyldiazenyl]phenyl}carbamothioyl)amino]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.