4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole
TL;DR: 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole (CAS 769952-83-2) is a chemical compound with molecular formula C9H7BrN4 and molecular weight 249.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 4-p-Brombenzaldimino-1,2,4-triazol, 4-(4-BROMOBENZYLIDENEAMINO)-4H-1,2,4-TRIAZOLE, J2.082.027F, N-(4-Bromobenzylidene)-4H-1,2,4-triazol-4-amine, 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C9H7BrN4 |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 1.9228 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.98541 |
| Heavy Atoms | 14 |
| Complexity | 418.58243 |
Chemical Identifiers
| CAS Number | 769952-83-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/N2C=NN=C2)Br |
Product Overview
4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole (CAS 769952-83-2), with molecular formula C9H7BrN4 and molecular weight 249.99 g/mol. IUPAC: (E)-1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole
Property Insights of 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole
The XLogP value of 1.9228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 43.07 Ų, 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole has 0 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-(4-Bromobenzylideneamino)-4H-1,2,4-triazole?
The CAS number of 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole is 769952-83-2.
What is the molecular formula of 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole?
The molecular formula of 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole is C9H7BrN4.
What is the molecular weight of 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole?
The molecular weight of 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole is 249.99 g/mol.
Where can I buy 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole?
You can request a quote for 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromobenzylideneamino)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.