![5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole structure](/static/products/312/312277-75-1.png)
5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole
TL;DR: 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole (CAS 312277-75-1) is a chemical compound with molecular formula C14H7F3N6O4S and molecular weight 412.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-phenyltetrazole
Also Known As: A1749/0074224, 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-phenyltetrazole, 5-((2,6-dinitro-4-(trifluoromethyl)phenyl)thio)-1-phenyl-1H-tetrazole, 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole, 5-{[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]SULFANYL}-1-PHENYL-1H-1,2,3,4-TETRAZOLE
| Molecular Formula | C14H7F3N6O4S |
|---|---|
| Molecular Weight | 412.02 g/mol |
| LogP | 3.6487 |
| Topological Polar Surface Area | 129.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.02017 |
| Heavy Atoms | 28 |
| Complexity | 1021.72534 |
Chemical Identifiers
| CAS Number | 312277-75-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole (CAS 312277-75-1), with molecular formula C14H7F3N6O4S and molecular weight 412.02 g/mol. IUPAC: 5-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-phenyltetrazole.
Chemical Property Profile of 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole
Property Insights of 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole
The XLogP value of 3.6487 indicates that 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole. Following Lipinski's Rule of Five, 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole has 0 hydrogen bond donor(s) and 8 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-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole?
The CAS number of 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole is 312277-75-1.
What is the molecular formula of 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole?
The molecular formula of 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole is C14H7F3N6O4S.
What is the molecular weight of 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole?
The molecular weight of 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole is 412.02 g/mol.
Where can I buy 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole?
You can request a quote for 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-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-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-phenyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.