![N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide structure](/static/products/4129/412962-50-6.webp)
N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide
TL;DR: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide (CAS 412962-50-6) is a chemical compound with molecular formula C18H16Cl3N5O4S and molecular weight 503.00 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]-2-nitrobenzamide
Also Known As: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide, N-[1-({[4-(acetylamino)phenyl]carbamothioyl}amino)-2,2,2-trichloroethyl]-2-nitrobenzamide, N-{1-[({[4-(acetylamino)phenyl]amino}carbonothioyl)amino]-2,2,2-trichloroethyl}-2-nitrobenzamide
| Molecular Formula | C18H16Cl3N5O4S |
|---|---|
| Molecular Weight | 503.00 g/mol |
| LogP | 3.9659 |
| Topological Polar Surface Area | 125.4 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.99887 |
| Heavy Atoms | 31 |
| Complexity | 998.4349 |
Chemical Identifiers
| CAS Number | 412962-50-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide (CAS 412962-50-6), with molecular formula C18H16Cl3N5O4S and molecular weight 503.00 g/mol. IUPAC: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide.
Chemical Property Profile of N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide
Property Insights of N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide
The XLogP value of 3.9659 indicates that N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide has 4 hydrogen bond donor(s) and 5 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-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide?
The CAS number of N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide is 412962-50-6.
What is the molecular formula of N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide?
The molecular formula of N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide is C18H16Cl3N5O4S.
What is the molecular weight of N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide?
The molecular weight of N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide is 503.00 g/mol.
Where can I buy N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide?
You can request a quote for N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide 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-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.