2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide
TL;DR: 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide (CAS 90667-15-5) is a chemical compound with molecular formula C10H9BrN4OS and molecular weight 311.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide
Also Known As: 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide, 2-bromo-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide, Benzamide, 2-bromo-N-[5-(methylthio)-1H-1,2,4-triazol-3-yl]-, 2-bromo-N-(5-methylsulfanyl-1H-1,2,4-triazol-3-yl)benzamide, 2-Bromo-N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]benzamide
| Molecular Formula | C10H9BrN4OS |
|---|---|
| Molecular Weight | 311.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.96805 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 90667-15-5 |
|---|---|
| SMILES | CSC1=NNC(=N1)NC(=O)C2=CC=CC=C2Br |
| InChIKey | UCDUHAURQVKFJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide (CAS 90667-15-5), with molecular formula C10H9BrN4OS and molecular weight 311.97 g/mol. IUPAC: 2-bromo-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzamide.
Chemical Property Profile of 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide
Property Insights of 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide. Following Lipinski's Rule of Five, 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide has 2 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 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide?
The CAS number of 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide is 90667-15-5.
What is the molecular formula of 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide?
The molecular formula of 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide is C10H9BrN4OS.
What is the molecular weight of 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide?
The molecular weight of 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide is 311.97 g/mol.
Where can I buy 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide?
You can request a quote for 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-N-(5-(methylthio)-1H-1,2,4-triazol-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.