N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline
TL;DR: N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline (CAS 256955-21-2) is a chemical compound with molecular formula C13H10F2N4 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(benzotriazol-1-ylmethyl)-2,5-difluoroaniline
Also Known As: N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline, N-(benzotriazol-1-ylmethyl)-2,5-difluoroaniline, (benzotriazolylmethyl)(2,5-difluorophenyl)amine, AA-768/34978032, N-(benzotriazol-1-ylmethyl)-2,5-difluoro-aniline
| Molecular Formula | C13H10F2N4 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.08734 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 256955-21-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CNC3=C(C=CC(=C3)F)F |
| InChIKey | NCYKEJOUNOPSOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline (CAS 256955-21-2), with molecular formula C13H10F2N4 and molecular weight 260.09 g/mol. IUPAC: N-(benzotriazol-1-ylmethyl)-2,5-difluoroaniline.
Chemical Property Profile of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline
Property Insights of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline
The XLogP value of 3.2 indicates that N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline 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)-2,5-difluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline has 1 hydrogen bond donor(s) and 5 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)-2,5-difluoroaniline?
The CAS number of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline is 256955-21-2.
What is the molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline?
The molecular formula of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline is C13H10F2N4.
What is the molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline?
The molecular weight of N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline is 260.09 g/mol.
Where can I buy N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline?
You can request a quote for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline 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)-2,5-difluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-difluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.