![N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide structure](/static/products/4454/445419-06-7.webp)
N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide
TL;DR: N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide (CAS 445419-06-7) is a chemical compound with molecular formula C21H14BrClN2O2S and molecular weight 471.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide
Also Known As: AN-465/41166194, N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide, N-(2-benzoyl-4-chlorophenyl)-N'-(2-bromobenzoyl)thiourea
| Molecular Formula | C21H14BrClN2O2S |
|---|---|
| Molecular Weight | 471.96 g/mol |
| LogP | 5.4603 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.96478 |
| Heavy Atoms | 28 |
| Complexity | 1057.281 |
Chemical Identifiers
| CAS Number | 445419-06-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=S)NC(=O)C3=CC=CC=C3Br |
Product Overview
N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide (CAS 445419-06-7), with molecular formula C21H14BrClN2O2S and molecular weight 471.96 g/mol. IUPAC: N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide.
Chemical Property Profile of N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide
Property Insights of N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide
The XLogP value of 5.4603 indicates that N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide 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 N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide?
The CAS number of N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide is 445419-06-7.
What is the molecular formula of N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide?
The molecular formula of N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide is C21H14BrClN2O2S.
What is the molecular weight of N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide?
The molecular weight of N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide is 471.96 g/mol.
Where can I buy N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide?
You can request a quote for N-[(2-benzoyl-4-chlorophenyl)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-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.