N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide
TL;DR: N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide (CAS 406915-48-8) is a chemical compound with molecular formula C11H10BrCl4N3OS and molecular weight 450.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chloroacetamide
Also Known As: N-(1-(((2-BR-ANILINO)CARBOTHIOYL)AMINO)-2,2,2-TRICHLOROETHYL)-2-CHLOROACETAMIDE, N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chloroacetamide, N-[1-[(2-bromophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]-2-chloro-acetamide, 655-611-0, RefChem:823407
| Molecular Formula | C11H10BrCl4N3OS |
|---|---|
| Molecular Weight | 450.85 g/mol |
| LogP | 3.7868 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.8482 |
| Heavy Atoms | 21 |
| Complexity | 526.43494 |
Chemical Identifiers
| CAS Number | 406915-48-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CCl)Br |
Product Overview
N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide (CAS 406915-48-8), with molecular formula C11H10BrCl4N3OS and molecular weight 450.85 g/mol. IUPAC: N-[1-[(2-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chloroacetamide.
Chemical Property Profile of N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide
Property Insights of N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide
The XLogP value of 3.7868 indicates that N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide has 3 hydrogen bond donor(s) and 2 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-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide?
The CAS number of N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide is 406915-48-8.
What is the molecular formula of N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide?
The molecular formula of N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide is C11H10BrCl4N3OS.
What is the molecular weight of N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide?
The molecular weight of N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide is 450.85 g/mol.
Where can I buy N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide?
You can request a quote for N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-(((2-BR-Anilino)carbothioyl)amino)-2,2,2-trichloroethyl)-2-chloroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.