![4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- structure](/static/products/3278/32787-79-4.webp)
4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-
TL;DR: 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- (CAS 32787-79-4) 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.
1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine, 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-, 1-(4-bromophenyl)-N-(4H-1,2,4-triazol-4-yl)methanimine, (E)-1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C9H7BrN4 |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.98541 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 32787-79-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NN2C=NN=C2)Br |
| InChIKey | DNEVVDSOWJXLAW-UHFFFAOYSA-N |
Product Overview
4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- (CAS 32787-79-4), with molecular formula C9H7BrN4 and molecular weight 249.99 g/mol. IUPAC: 1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-
Property Insights of 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-. With a topological polar surface area (TPSA) of 43.1 Ų, 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- 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 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-?
The CAS number of 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- is 32787-79-4.
What is the molecular formula of 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-?
The molecular formula of 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- is C9H7BrN4.
What is the molecular weight of 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-?
The molecular weight of 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- is 249.99 g/mol.
Where can I buy 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-?
You can request a quote for 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazol-4-amine, N-[(4-bromophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.