![N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide structure](/static/products/2946/294654-16-3.webp)
N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide
TL;DR: N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide (CAS 294654-16-3) is a chemical compound with molecular formula C13H17Cl3N4O3S2 and molecular weight 445.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide
Also Known As: BAS 00133433, N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide, N-{2,2,2-Trichloro-1-[3-(4-sulfamoyl-phenyl)-thioureido]-ethyl}-butyramide, N-(2,2,2-trichloro-1-{[(4-sulfamoylphenyl)carbamothioyl]amino}ethyl)butanamide, N-(2,2,2-trichloro-1-(3-(4-sulfamoylphenyl)thioureido)ethyl)butyramide
| Molecular Formula | C13H17Cl3N4O3S2 |
|---|---|
| Molecular Weight | 445.98 g/mol |
| LogP | 2.233 |
| Topological Polar Surface Area | 113.32 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.98077 |
| Heavy Atoms | 25 |
| Complexity | 721.0299 |
Chemical Identifiers
| CAS Number | 294654-16-3 |
|---|---|
| SMILES | CCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N |
Product Overview
N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide (CAS 294654-16-3), with molecular formula C13H17Cl3N4O3S2 and molecular weight 445.98 g/mol. IUPAC: N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide.
Chemical Property Profile of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide
Property Insights of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide
The XLogP value of 2.233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide. The TPSA of 113.32 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide. Following Lipinski's Rule of Five, N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide?
The CAS number of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide is 294654-16-3.
What is the molecular formula of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide?
The molecular formula of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide is C13H17Cl3N4O3S2.
What is the molecular weight of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide?
The molecular weight of N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide is 445.98 g/mol.
Where can I buy N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide?
You can request a quote for N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2,2,2-trichloro-1-[(4-sulfamoylphenyl)carbamothioylamino]ethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.