2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
TL;DR: 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine (CAS 16185-96-9) is a chemical compound with molecular formula C13H11FN4 and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine
Also Known As: ASISCHEM S88727, 2-(4-fluorophenyl)-6-methyl-2H-1,2,3-benzotriazol-5-amine, 2-(4-Fluoro-phenyl)-6-methyl-2H-benzotriazol-5-yl-amine, 2'-(Trifluoromethyl)propiophenone, (1-Cbz-3-piperidine)carbothioamide
| Molecular Formula | C13H11FN4 |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | 2.45022 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.09677 |
| Heavy Atoms | 18 |
| Complexity | 676.6845 |
Chemical Identifiers
| CAS Number | 16185-96-9 |
|---|---|
| SMILES | CC1=CC2=NN(N=C2C=C1N)C3=CC=C(C=C3)F |
Product Overview
2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine (CAS 16185-96-9), with molecular formula C13H11FN4 and molecular weight 242.10 g/mol. IUPAC: 2-(4-fluorophenyl)-6-methylbenzotriazol-5-amine.
Chemical Property Profile of 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
Property Insights of 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine
The XLogP value of 2.45022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine 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 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine?
The CAS number of 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine is 16185-96-9.
What is the molecular formula of 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine?
The molecular formula of 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine is C13H11FN4.
What is the molecular weight of 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine?
The molecular weight of 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine is 242.10 g/mol.
Where can I buy 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine?
You can request a quote for 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-6-methyl-2H-benzotriazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.