![1-[(4-Fluorophenyl)methyl]benzotriazole structure](/static/products/1480/148004-76-6.webp)
1-[(4-Fluorophenyl)methyl]benzotriazole
TL;DR: 1-[(4-Fluorophenyl)methyl]benzotriazole (CAS 148004-76-6) is a chemical compound with molecular formula C13H10FN3 and molecular weight 227.08588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-fluorophenyl)methyl]benzotriazole
Also Known As: 1-[(4-fluorophenyl)methyl]benzotriazole, 1-[(4-Fluorophenyl)methyl]-1H-1,2,3-benzotriazole, 1-(4-fluorobenzyl)-1H-benzotriazole, [(4-fluorophenyl)methyl]benzotriazole, IDI1_023849
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10FN3 |
| Molecular Weight | 227.08588 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.08588 Da |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)F |
| InChIKey | LYLXLYIBPQKLIU-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(4-Fluorophenyl)methyl]benzotriazole
Property Insights of 1-[(4-Fluorophenyl)methyl]benzotriazole
The XLogP value of 3.0 indicates that 1-[(4-Fluorophenyl)methyl]benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, 1-[(4-Fluorophenyl)methyl]benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Fluorophenyl)methyl]benzotriazole 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
What is the CAS number of 1-[(4-Fluorophenyl)methyl]benzotriazole?
The CAS number of 1-[(4-Fluorophenyl)methyl]benzotriazole is 148004-76-6.
What is the molecular formula of 1-[(4-Fluorophenyl)methyl]benzotriazole?
The molecular formula of 1-[(4-Fluorophenyl)methyl]benzotriazole is C13H10FN3.
What is the molecular weight of 1-[(4-Fluorophenyl)methyl]benzotriazole?
The molecular weight of 1-[(4-Fluorophenyl)methyl]benzotriazole is 227.08588 g/mol.
Where can I buy 1-[(4-Fluorophenyl)methyl]benzotriazole?
You can request a quote for 1-[(4-Fluorophenyl)methyl]benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(4-Fluorophenyl)methyl]benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-[(4-Fluorophenyl)methyl]benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.