N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline
TL;DR: N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline (CAS 303090-97-3) is a chemical compound with molecular formula C13H7F5N4 and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline
Also Known As: N-(1H-1,2,3-BENZOTRIAZOL-1-YLMETHYL)-2,3,4,5,6-PENTAFLUOROANILINE, N-(benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline, N-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-2,3,4,5,6-pentafluoroaniline, N-(benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoro-aniline, 652-884-8
| Molecular Formula | C13H7F5N4 |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 3.1964 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.05908 |
| Heavy Atoms | 22 |
| Complexity | 831.998 |
Chemical Identifiers
| CAS Number | 303090-97-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline (CAS 303090-97-3), with molecular formula C13H7F5N4 and molecular weight 314.06 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline.
Chemical Property Profile of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline
Property Insights of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline
The XLogP value of 3.1964 indicates that N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline has 1 hydrogen bond donor(s) and 3 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)-2,3,4,5,6-pentafluoroaniline?
The CAS number of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline is 303090-97-3.
What is the molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline?
The molecular formula of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline is C13H7F5N4.
What is the molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline?
The molecular weight of N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline is 314.06 g/mol.
Where can I buy N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline?
You can request a quote for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline 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)-2,3,4,5,6-pentafluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2,3,4,5,6-pentafluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.