![5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole structure](/static/products/2251/2251-79-8.webp)
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
TL;DR: 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole (CAS 2251-79-8) is a chemical compound with molecular formula C8H5F3N4 and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(trifluoromethyl)phenyl]-2H-tetrazole
Also Known As: 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole, 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole, 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole, Maybridge1_007473, 5-[4-(Trifluoromethyl)phenyl]tetrazole
| Molecular Formula | C8H5F3N4 |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.04663 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 2251-79-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNN=N2)C(F)(F)F |
| InChIKey | CCVCHQBLMDMSNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole (CAS 2251-79-8), with molecular formula C8H5F3N4 and molecular weight 214.05 g/mol. IUPAC: 5-[4-(trifluoromethyl)phenyl]-2H-tetrazole.
Chemical Property Profile of 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
Property Insights of 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole has 1 hydrogen bond donor(s) and 6 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 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole?
The CAS number of 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole is 2251-79-8.
What is the molecular formula of 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole?
The molecular formula of 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole is C8H5F3N4.
What is the molecular weight of 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole?
The molecular weight of 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole is 214.05 g/mol.
Where can I buy 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole?
You can request a quote for 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.