N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide
TL;DR: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide (CAS 640247-28-5) is a chemical compound with molecular formula C17H15BrN4O2S2 and molecular weight 449.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-bromobenzamide
Also Known As: N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide, N-({4-[(acetylcarbamothioyl)amino]phenyl}carbamothioyl)-4-bromobenzamide, N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-bromobenzamide, N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-4-bromo-benzamide
| Molecular Formula | C17H15BrN4O2S2 |
|---|---|
| Molecular Weight | 449.98 g/mol |
| LogP | 3.4088 |
| Topological Polar Surface Area | 82.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.982 |
| Heavy Atoms | 26 |
| Complexity | 838.8463 |
Chemical Identifiers
| CAS Number | 640247-28-5 |
|---|---|
| SMILES | CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)Br |
Product Overview
N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide (CAS 640247-28-5), with molecular formula C17H15BrN4O2S2 and molecular weight 449.98 g/mol. IUPAC: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-4-bromobenzamide.
Chemical Property Profile of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide
Property Insights of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide
The XLogP value of 3.4088 indicates that N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.26 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide. Following Lipinski's Rule of Five, N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide has 4 hydrogen bond donor(s) and 4 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-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide?
The CAS number of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide is 640247-28-5.
What is the molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide?
The molecular formula of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide is C17H15BrN4O2S2.
What is the molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide?
The molecular weight of N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide is 449.98 g/mol.
Where can I buy N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide?
You can request a quote for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(3-acetylthioureido)phenyl)carbamothioyl)-4-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.