4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
TL;DR: 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole (CAS 13322-02-6) is a chemical compound with molecular formula C10H10BrN3 and molecular weight 251.00581 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(bromomethyl)-5-methyl-2-phenyltriazole
Also Known As: 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole, 4-(bromomethyl)-5-methyl-2-phenyltriazole, 2H-1,2,3-Triazole, 4-(bromomethyl)-5-methyl-2-phenyl-, K-4179, 2-Phenyl-4-(bromomethyl)-5-methyl-1,2,3-triazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H10BrN3 |
| Molecular Weight | 251.00581 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.00581 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| SMILES | CC1=NN(N=C1CBr)C2=CC=CC=C2 |
| InChIKey | UXRCTMMLJAMVLG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
Property Insights of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole. With a topological polar surface area (TPSA) of 30.7 Ų, 4-(Bromomethyl)-5-methyl-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)-5-methyl-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
What is the CAS number of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole?
The CAS number of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole is 13322-02-6.
What is the molecular formula of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole?
The molecular formula of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole is C10H10BrN3.
What is the molecular weight of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole?
The molecular weight of 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole is 251.00581 g/mol.
Where can I buy 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole?
You can request a quote for 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole?
Yes, CoreyChem provides custom synthesis services for 4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.