N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline
TL;DR: N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline (CAS 298217-92-2) is a chemical compound with molecular formula C13H10BrFN4 and molecular weight 320.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline
Also Known As: N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline, N-(benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline, N-[(1H-1,2,3-benzotriazol-1-yl)methyl]-4-bromo-2-fluoroaniline
| Molecular Formula | C13H10BrFN4 |
|---|---|
| Molecular Weight | 320.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0073 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 298217-92-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=C(C=C(C=C3)Br)F |
| InChIKey | AKXOKDIILNZEGQ-UHFFFAOYSA-N |
Product Overview
N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline (CAS 298217-92-2), with molecular formula C13H10BrFN4 and molecular weight 320.01 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline.
Chemical Property Profile of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline
Property Insights of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline
The XLogP value of 3.6 indicates that N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-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-bromo-2-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-bromo-2-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
Frequently Asked Questions
What is the CAS number of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline?
The CAS number of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline is 298217-92-2.
What is the molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline?
The molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline is C13H10BrFN4.
What is the molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline?
The molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline is 320.01 g/mol.
Where can I buy N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline?
You can request a quote for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-bromo-2-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.