5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
TL;DR: 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole (CAS 175205-09-1) is a chemical compound with molecular formula C9H4F6N4 and molecular weight 282.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
Also Known As: 5-[3,5-Bis(trifluoromethyl)phenyl]tetrazole, 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole, Maybridge1_006968, 5-(3,5-bis(trifluoromethyl)phenyl)-1H-tetrazole, Activator 42(R) 0.3 M
| Molecular Formula | C9H4F6N4 |
|---|---|
| Molecular Weight | 282.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.03403 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 175205-09-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NNN=N2 |
| InChIKey | KKJFZIQEWZVVIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole (CAS 175205-09-1), with molecular formula C9H4F6N4 and molecular weight 282.03 g/mol. IUPAC: 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole.
Chemical Property Profile of 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
Property Insights of 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole has 1 hydrogen bond donor(s) and 9 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-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole?
The CAS number of 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole is 175205-09-1.
What is the molecular formula of 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole?
The molecular formula of 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole is C9H4F6N4.
What is the molecular weight of 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole?
The molecular weight of 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole is 282.03 g/mol.
Where can I buy 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole?
You can request a quote for 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-Bis(trifluoromethyl)phenyl)-2H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.