N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide
TL;DR: N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide (CAS 302913-90-2) is a chemical compound with molecular formula C27H43Cl3N4O2S and molecular weight 592.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide
Also Known As: N-(1-(((4-(ACETYLAMINO)ANILINO)CARBOTHIOYL)AMINO)-2,2,2-TRI-CL-ET)HEXADECANAMIDE, N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide, N-[1-[(4-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]hexadecanamide, 658-434-7, RefChem:823416
| Molecular Formula | C27H43Cl3N4O2S |
|---|---|
| Molecular Weight | 592.22 g/mol |
| LogP | 8.2252 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 592.2172 |
| Heavy Atoms | 37 |
| Complexity | 803.8361 |
Chemical Identifiers
| CAS Number | 302913-90-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)NC(=O)C |
Product Overview
N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide (CAS 302913-90-2), with molecular formula C27H43Cl3N4O2S and molecular weight 592.22 g/mol. IUPAC: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide.
Chemical Property Profile of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide
Property Insights of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide
The XLogP value of 8.2252 indicates that N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide. Following Lipinski's Rule of Five, N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide has 4 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide?
The CAS number of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide is 302913-90-2.
What is the molecular formula of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide?
The molecular formula of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide is C27H43Cl3N4O2S.
What is the molecular weight of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide?
The molecular weight of N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide is 592.22 g/mol.
Where can I buy N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide?
You can request a quote for N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(((4-(Acetylamino)anilino)carbothioyl)amino)-2,2,2-tri-CL-ET)hexadecanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.