![4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide structure](/static/products/112/112891-43-7.png)
4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide
TL;DR: 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide (CAS 112891-43-7) is a chemical compound with molecular formula C11H9BrN4O2S and molecular weight 339.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-[[(2-cyanoacetyl)amino]carbamothioyl]benzamide
Also Known As: BAS 01580394, 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide, 4-bromo-N-[[(2-cyanoacetyl)amino]carbamothioyl]benzamide, 4-Bromo-N-[N'-(2-cyano-acetyl)-hydrazinocarbothioyl]-benzamide
| Molecular Formula | C11H9BrN4O2S |
|---|---|
| Molecular Weight | 339.96 g/mol |
| LogP | 0.99828 |
| Topological Polar Surface Area | 94.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.96295 |
| Heavy Atoms | 19 |
| Complexity | 538.62134 |
Chemical Identifiers
| CAS Number | 112891-43-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NNC(=O)CC#N)Br |
Product Overview
4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide (CAS 112891-43-7), with molecular formula C11H9BrN4O2S and molecular weight 339.96 g/mol. IUPAC: 4-bromo-N-[[(2-cyanoacetyl)amino]carbamothioyl]benzamide.
Chemical Property Profile of 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide
Property Insights of 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide
The XLogP value of 0.99828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide. The TPSA of 94.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide. Following Lipinski's Rule of Five, 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide has 3 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 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide?
The CAS number of 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide is 112891-43-7.
What is the molecular formula of 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide?
The molecular formula of 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide is C11H9BrN4O2S.
What is the molecular weight of 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide?
The molecular weight of 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide is 339.96 g/mol.
Where can I buy 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide?
You can request a quote for 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-{[2-(cyanoacetyl)hydrazino]carbothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.