![N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide structure](/static/products/4454/445418-41-7.webp)
N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide
TL;DR: N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide (CAS 445418-41-7) is a chemical compound with molecular formula C16H9BrF6N2OS and molecular weight 469.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2-bromobenzamide
Also Known As: AN-465/41164469, N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide, N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2-bromobenzamide, N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-bromobenzoyl)thiourea
| Molecular Formula | C16H9BrF6N2OS |
|---|---|
| Molecular Weight | 469.95 g/mol |
| LogP | 5.6135 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 469.95233 |
| Heavy Atoms | 27 |
| Complexity | 849.6947 |
Chemical Identifiers
| CAS Number | 445418-41-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Br |
Product Overview
N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide (CAS 445418-41-7), with molecular formula C16H9BrF6N2OS and molecular weight 469.95 g/mol. IUPAC: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-2-bromobenzamide.
Chemical Property Profile of N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide
Property Insights of N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide
The XLogP value of 5.6135 indicates that N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide has 2 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-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide?
The CAS number of N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide is 445418-41-7.
What is the molecular formula of N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide?
The molecular formula of N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide is C16H9BrF6N2OS.
What is the molecular weight of N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide?
The molecular weight of N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide is 469.95 g/mol.
Where can I buy N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide?
You can request a quote for N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3,5-bis(trifluoromethyl)phenyl]carbamothioyl}-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.