![N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide structure](/static/products/6132/6132-46-3.webp)
N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide
TL;DR: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide (CAS 6132-46-3) is a chemical compound with molecular formula C16H12BrCl3FN3OS and molecular weight 496.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide
Also Known As: 2,4-Dinitrophenyl methylthiolo carbonat, BIM-0004435.P001, N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide, N-(1-{[(3-Bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-2-fluorobenzamide, N-(1-{[(3-bromoanilino)carbothioyl]amino}-2,2,2-trichloroethyl)-2-fluorobenzamide
| Molecular Formula | C16H12BrCl3FN3OS |
|---|---|
| Molecular Weight | 496.89 g/mol |
| LogP | 5.0009 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.8934 |
| Heavy Atoms | 26 |
| Complexity | 819.32214 |
Chemical Identifiers
| CAS Number | 6132-46-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)Br)F |
Product Overview
N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide (CAS 6132-46-3), with molecular formula C16H12BrCl3FN3OS and molecular weight 496.89 g/mol. IUPAC: N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide.
Chemical Property Profile of N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide
Property Insights of N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide
The XLogP value of 5.0009 indicates that N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide 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-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide has 3 hydrogen bond donor(s) and 2 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-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide?
The CAS number of N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide is 6132-46-3.
What is the molecular formula of N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide?
The molecular formula of N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide is C16H12BrCl3FN3OS.
What is the molecular weight of N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide?
The molecular weight of N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide is 496.89 g/mol.
Where can I buy N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide?
You can request a quote for N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.