1-(Fluoromethyl)benzotriazole
TL;DR: 1-(Fluoromethyl)benzotriazole (CAS 158607-43-3) is a chemical compound with molecular formula C7H6FN3 and molecular weight 151.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(fluoromethyl)benzotriazole
Also Known As: 1-(fluoromethyl)benzotriazole, 1-(Fluoromethyl)-1H-1,2,3-benzotriazole, 1H-Benzotriazole,1-(fluoromethyl)-(9CI), 1-(Fluoromethyl)-1H-benzotriazole, 1H-Benzotriazole, 1-(fluoromethyl)- (9CI)
| Molecular Formula | C7H6FN3 |
|---|---|
| Molecular Weight | 151.05 g/mol |
| LogP | 1.3583 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.05458 |
| Heavy Atoms | 11 |
| Complexity | 368.47812 |
Chemical Identifiers
| CAS Number | 158607-43-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CF |
Product Overview
1-(Fluoromethyl)benzotriazole (CAS 158607-43-3), with molecular formula C7H6FN3 and molecular weight 151.05 g/mol. IUPAC: 1-(fluoromethyl)benzotriazole.
Chemical Property Profile of 1-(Fluoromethyl)benzotriazole
Property Insights of 1-(Fluoromethyl)benzotriazole
The XLogP value of 1.3583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Fluoromethyl)benzotriazole. With a topological polar surface area (TPSA) of 30.71 Ų, 1-(Fluoromethyl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Fluoromethyl)benzotriazole has 0 hydrogen bond donor(s) and 2 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 1-(Fluoromethyl)benzotriazole?
The CAS number of 1-(Fluoromethyl)benzotriazole is 158607-43-3.
What is the molecular formula of 1-(Fluoromethyl)benzotriazole?
The molecular formula of 1-(Fluoromethyl)benzotriazole is C7H6FN3.
What is the molecular weight of 1-(Fluoromethyl)benzotriazole?
The molecular weight of 1-(Fluoromethyl)benzotriazole is 151.05 g/mol.
Where can I buy 1-(Fluoromethyl)benzotriazole?
You can request a quote for 1-(Fluoromethyl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Fluoromethyl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Fluoromethyl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.