4,5,6,7-tetrafluoro-2H-benzotriazole
TL;DR: 4,5,6,7-tetrafluoro-2H-benzotriazole (CAS 26888-72-2) is a chemical compound with molecular formula C6HF4N3 and molecular weight 191.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrafluoro-2H-benzotriazole
Also Known As: 4,5,6,7-Tetrafluoro-1H-benzo[d][1,2,3]triazole, 4,5,6,7-tetrafluoro-2H-benzotriazole, tetrafluorobenzotriazole, Tetrafluoro-benzotriazol, 4,5,6,7-tetrafluoro-1H-benzotriazole
| Molecular Formula | C6HF4N3 |
|---|---|
| Molecular Weight | 191.01 g/mol |
| LogP | 1.5143 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.01067 |
| Heavy Atoms | 13 |
| Complexity | 436.17438 |
Chemical Identifiers
| CAS Number | 26888-72-2 |
|---|---|
| SMILES | C1(=C(C2=NNN=C2C(=C1F)F)F)F |
Product Overview
4,5,6,7-tetrafluoro-2H-benzotriazole (CAS 26888-72-2), with molecular formula C6HF4N3 and molecular weight 191.01 g/mol. IUPAC: 4,5,6,7-tetrafluoro-2H-benzotriazole.
Chemical Property Profile of 4,5,6,7-tetrafluoro-2H-benzotriazole
Property Insights of 4,5,6,7-tetrafluoro-2H-benzotriazole
The XLogP value of 1.5143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,6,7-tetrafluoro-2H-benzotriazole. With a topological polar surface area (TPSA) of 41.57 Ų, 4,5,6,7-tetrafluoro-2H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-tetrafluoro-2H-benzotriazole has 1 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 4,5,6,7-tetrafluoro-2H-benzotriazole?
The CAS number of 4,5,6,7-tetrafluoro-2H-benzotriazole is 26888-72-2.
What is the molecular formula of 4,5,6,7-tetrafluoro-2H-benzotriazole?
The molecular formula of 4,5,6,7-tetrafluoro-2H-benzotriazole is C6HF4N3.
What is the molecular weight of 4,5,6,7-tetrafluoro-2H-benzotriazole?
The molecular weight of 4,5,6,7-tetrafluoro-2H-benzotriazole is 191.01 g/mol.
Where can I buy 4,5,6,7-tetrafluoro-2H-benzotriazole?
You can request a quote for 4,5,6,7-tetrafluoro-2H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-tetrafluoro-2H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-tetrafluoro-2H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.