4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide
TL;DR: 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide (CAS 297178-96-2) is a chemical compound with molecular formula C9H7BrN4O and molecular weight 265.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(1,2,4-triazol-4-yl)benzamide
Also Known As: 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide, 4-bromo-N-(1,2,4-triazol-4-yl)benzamide, 4-Bromo-N-4H-1,2,4-triazol-4-ylbenzamide, J3.701.178I, AB01303309-01
| Molecular Formula | C9H7BrN4O |
|---|---|
| Molecular Weight | 265.98 g/mol |
| LogP | 1.4245 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.98032 |
| Heavy Atoms | 15 |
| Complexity | 451.4744 |
Chemical Identifiers
| CAS Number | 297178-96-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NN2C=NN=C2)Br |
Product Overview
4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide (CAS 297178-96-2), with molecular formula C9H7BrN4O and molecular weight 265.98 g/mol. IUPAC: 4-bromo-N-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide
Property Insights of 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide
The XLogP value of 1.4245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide. With a topological polar surface area (TPSA) of 59.81 Ų, 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide has 1 hydrogen bond donor(s) and 3 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-(4H-1,2,4-triazol-4-yl)benzamide?
The CAS number of 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide is 297178-96-2.
What is the molecular formula of 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular formula of 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide is C9H7BrN4O.
What is the molecular weight of 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular weight of 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide is 265.98 g/mol.
Where can I buy 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide?
You can request a quote for 4-bromo-N-(4H-1,2,4-triazol-4-yl)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-(4H-1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(4H-1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.