![5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide structure](/static/products/7586/758689-22-4.webp)
5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
TL;DR: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide (CAS 758689-22-4) is a chemical compound with molecular formula C21H25BrN4O2S and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
Also Known As: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide, 5-bromo-2-methoxy-3-methyl-N-{[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl}benzamide, 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C21H25BrN4O2S |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 3.64472 |
| Topological Polar Surface Area | 56.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.08817 |
| Heavy Atoms | 29 |
| Complexity | 913.54926 |
Chemical Identifiers
| CAS Number | 758689-22-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OC)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C)Br |
Product Overview
5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide (CAS 758689-22-4), with molecular formula C21H25BrN4O2S and molecular weight 476.09 g/mol. IUPAC: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
Property Insights of 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
The XLogP value of 3.64472 indicates that 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.84 Ų, 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 5 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 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The CAS number of 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is 758689-22-4.
What is the molecular formula of 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The molecular formula of 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is C21H25BrN4O2S.
What is the molecular weight of 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
The molecular weight of 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide is 476.09 g/mol.
Where can I buy 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
You can request a quote for 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.