4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
TL;DR: 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole (CAS 41425-60-9) is a chemical compound with molecular formula C9H8BrN3 and molecular weight 236.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-2-phenyltriazole
Also Known As: 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole, 4-(bromomethyl)-2-phenyltriazole, 4-(bromomethyl)-2-phenyl-1,2,3-triazole, 2H-1,2,3-Triazole,4-(bromomethyl)-2-phenyl-, 4-Brommethyl-2-phenyl-2H-[1,2,3]triazol
| Molecular Formula | C9H8BrN3 |
|---|---|
| Molecular Weight | 236.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.99016 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 41425-60-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=CC(=N2)CBr |
| InChIKey | UTQJRGAXADNRCO-UHFFFAOYSA-N |
Product Overview
4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole (CAS 41425-60-9), with molecular formula C9H8BrN3 and molecular weight 236.99 g/mol. IUPAC: 4-(bromomethyl)-2-phenyltriazole.
Chemical Property Profile of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
Property Insights of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole has 0 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-(bromomethyl)-2-phenyl-2H-1,2,3-triazole?
The CAS number of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole is 41425-60-9.
What is the molecular formula of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole?
The molecular formula of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole is C9H8BrN3.
What is the molecular weight of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole?
The molecular weight of 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole is 236.99 g/mol.
Where can I buy 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole?
You can request a quote for 4-(bromomethyl)-2-phenyl-2H-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-(bromomethyl)-2-phenyl-2H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(bromomethyl)-2-phenyl-2H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.