5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole
TL;DR: 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole (CAS 385376-08-9) is a chemical compound with molecular formula C18H19FN4S and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole
Also Known As: AN-465/14334009, 5-[[[4-(1,1-Dimethylethyl)phenyl]methyl]thio]-1-(2-fluorophenyl)-1H-tetrazole, Tetrazole, 1-(2-fluorophenyl)-5-[4-(1,1-dimethylethyl)benzylthio]-, 5-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole, 4-tert-butylbenzyl 1-(2-fluorophenyl)-1H-tetraazol-5-yl sulfide
| Molecular Formula | C18H19FN4S |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.13144 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 385376-08-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=NN2C3=CC=CC=C3F |
| InChIKey | WMIZTUQKVAYYJT-UHFFFAOYSA-N |
Product Overview
5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole (CAS 385376-08-9), with molecular formula C18H19FN4S and molecular weight 342.13 g/mol. IUPAC: 5-[(4-tert-butylphenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole.
Chemical Property Profile of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole
Property Insights of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole
The XLogP value of 5.3 indicates that 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole. Following Lipinski's Rule of Five, 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole?
The CAS number of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole is 385376-08-9.
What is the molecular formula of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole?
The molecular formula of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole is C18H19FN4S.
What is the molecular weight of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole?
The molecular weight of 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole is 342.13 g/mol.
Where can I buy 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole?
You can request a quote for 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-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-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(((4-(1,1-Dimethylethyl)phenyl)methyl)thio)-1-(2-fluorophenyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.