4-(3-bromophenyl)-1H-1,2,3-triazole
TL;DR: 4-(3-bromophenyl)-1H-1,2,3-triazole (CAS 55751-16-1) is a chemical compound with molecular formula C8H6BrN3 and molecular weight 222.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromophenyl)-2H-triazole
Also Known As: 4-(3-bromophenyl)-1H-1,2,3-triazole, 4-(3-bromophenyl)-2H-triazole, 5-(3-bromophenyl)-1H-1,2,3-Triazole, 1,2,3-triazole analogue, 23, 3-(bromo)phenyl-1H-1,2,3-triazole
| Molecular Formula | C8H6BrN3 |
|---|---|
| Molecular Weight | 222.97 g/mol |
| LogP | 2.2342 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.9745 |
| Heavy Atoms | 12 |
| Complexity | 369.55182 |
Chemical Identifiers
| CAS Number | 55751-16-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NNN=C2 |
Product Overview
4-(3-bromophenyl)-1H-1,2,3-triazole (CAS 55751-16-1), with molecular formula C8H6BrN3 and molecular weight 222.97 g/mol. IUPAC: 4-(3-bromophenyl)-2H-triazole.
Chemical Property Profile of 4-(3-bromophenyl)-1H-1,2,3-triazole
Property Insights of 4-(3-bromophenyl)-1H-1,2,3-triazole
The XLogP value of 2.2342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-bromophenyl)-1H-1,2,3-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 4-(3-bromophenyl)-1H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-bromophenyl)-1H-1,2,3-triazole has 1 hydrogen bond donor(s) and 2 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-(3-bromophenyl)-1H-1,2,3-triazole?
The CAS number of 4-(3-bromophenyl)-1H-1,2,3-triazole is 55751-16-1.
What is the molecular formula of 4-(3-bromophenyl)-1H-1,2,3-triazole?
The molecular formula of 4-(3-bromophenyl)-1H-1,2,3-triazole is C8H6BrN3.
What is the molecular weight of 4-(3-bromophenyl)-1H-1,2,3-triazole?
The molecular weight of 4-(3-bromophenyl)-1H-1,2,3-triazole is 222.97 g/mol.
Where can I buy 4-(3-bromophenyl)-1H-1,2,3-triazole?
You can request a quote for 4-(3-bromophenyl)-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-bromophenyl)-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-bromophenyl)-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.