![N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide structure](/static/products/831/831178-63-3.png)
N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
TL;DR: N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CAS 831178-63-3) is a chemical compound with molecular formula C17H14Cl3N3O3S and molecular weight 444.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
Also Known As: N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide, N-[4-(cyanomethyl)phenyl]-2-[methylsulfonyl-(2,4,5-trichlorophenyl)amino]acetamide, N-[4-(cyanomethyl)phenyl]-N~2~-(methylsulfonyl)-N~2~-(2,4,5-trichlorophenyl)glycinamide
| Molecular Formula | C17H14Cl3N3O3S |
|---|---|
| Molecular Weight | 444.98 g/mol |
| LogP | 4.11758 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.98215 |
| Heavy Atoms | 27 |
| Complexity | 1002.5642 |
Chemical Identifiers
| CAS Number | 831178-63-3 |
|---|---|
| SMILES | CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC(=C(C=C2Cl)Cl)Cl |
Product Overview
N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CAS 831178-63-3), with molecular formula C17H14Cl3N3O3S and molecular weight 444.98 g/mol. IUPAC: N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.
Chemical Property Profile of N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
Property Insights of N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
The XLogP value of 4.11758 indicates that N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide. Following Lipinski's Rule of Five, N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide has 1 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-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The CAS number of N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is 831178-63-3.
What is the molecular formula of N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The molecular formula of N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is C17H14Cl3N3O3S.
What is the molecular weight of N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The molecular weight of N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is 444.98 g/mol.
Where can I buy N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
You can request a quote for N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(cyanomethyl)phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.