![3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide structure](/static/products/4454/445419-22-7.webp)
3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
TL;DR: 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide (CAS 445419-22-7) is a chemical compound with molecular formula C16H11BrClF3N2O2S and molecular weight 465.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
Also Known As: AN-465/41166567, 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide, 3-bromo-N-{[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl}-4-methoxybenzamide, N-(3-bromo-4-methoxybenzoyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C16H11BrClF3N2O2S |
|---|---|
| Molecular Weight | 465.94 g/mol |
| LogP | 5.2567 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.93652 |
| Heavy Atoms | 26 |
| Complexity | 861.8739 |
Chemical Identifiers
| CAS Number | 445419-22-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(F)(F)F)Br |
Product Overview
3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide (CAS 445419-22-7), with molecular formula C16H11BrClF3N2O2S and molecular weight 465.94 g/mol. IUPAC: 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
Property Insights of 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide
The XLogP value of 5.2567 indicates that 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide has 2 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 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide?
The CAS number of 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide is 445419-22-7.
What is the molecular formula of 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide?
The molecular formula of 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide is C16H11BrClF3N2O2S.
What is the molecular weight of 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide?
The molecular weight of 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide is 465.94 g/mol.
Where can I buy 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide?
You can request a quote for 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-[[4-chloro-2-(trifluoromethyl)phenyl]carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.