N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide
TL;DR: N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide (CAS 303059-13-4) is a chemical compound with molecular formula C25H39Cl3N4O3S and molecular weight 580.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]hexadecanamide
Also Known As: N-(2,2,2-TRICHLORO-1-(((3-NITROANILINO)CARBOTHIOYL)AMINO)ETHYL)HEXADECANAMIDE, N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]hexadecanamide, N-[2,2,2-trichloro-1-[(3-nitrophenyl)thiocarbamoylamino]ethyl]hexadecanamide, 663-943-2, RefChem:823709
| Molecular Formula | C25H39Cl3N4O3S |
|---|---|
| Molecular Weight | 580.18 g/mol |
| LogP | 8.175 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 580.18085 |
| Heavy Atoms | 36 |
| Complexity | 808.99927 |
Chemical Identifiers
| CAS Number | 303059-13-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide (CAS 303059-13-4), with molecular formula C25H39Cl3N4O3S and molecular weight 580.18 g/mol. IUPAC: N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]hexadecanamide.
Chemical Property Profile of N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide
Property Insights of N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide
The XLogP value of 8.175 indicates that N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide. Following Lipinski's Rule of Five, N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide 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 N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide?
The CAS number of N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide is 303059-13-4.
What is the molecular formula of N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide?
The molecular formula of N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide is C25H39Cl3N4O3S.
What is the molecular weight of N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide?
The molecular weight of N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide is 580.18 g/mol.
Where can I buy N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide?
You can request a quote for N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide 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-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,2-Trichloro-1-(((3-nitroanilino)carbothioyl)amino)ethyl)hexadecanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.