N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline
TL;DR: N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline (CAS 158719-41-6) is a chemical compound with molecular formula C13H11FN4 and molecular weight 242.09677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(benzotriazol-1-ylmethyl)-4-fluoroaniline
Also Known As: N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline, N-(benzotriazol-1-ylmethyl)-4-fluoroaniline, BAS 00512009, N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-fluoroaniline, 1H-Benzotriazole-1-methanamine, N-(4-fluorophenyl)-
Technical Specifications
| Molecular Formula | C13H11FN4 |
| Molecular Weight | 242.09677 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.09677 Da |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=CC=C(C=C3)F |
| InChIKey | RSTJSEXNEQUVLD-UHFFFAOYSA-N |
Chemical Property Profile of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline
Property Insights of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline
The XLogP value of 3.1 indicates that N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline?
The CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline is 158719-41-6.
What is the molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline?
The molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline is C13H11FN4.
What is the molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline?
The molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline is 242.09677 g/mol.
Where can I buy N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline?
You can request a quote for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline?
Yes, CoreyChem provides custom synthesis services for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.