5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole
TL;DR: 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole (CAS 857546-40-8) is a chemical compound with molecular formula C13H8N6O4 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dinitrophenyl)-1-phenyltetrazole
Also Known As: 5-(3,5-dinitrophenyl)-1-phenyltetrazole, 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole, AR-299/42656402
| Molecular Formula | C13H8N6O4 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.1457 |
| Topological Polar Surface Area | 129.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0607 |
| Heavy Atoms | 23 |
| Complexity | 860.24023 |
Chemical Identifiers
| CAS Number | 857546-40-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole (CAS 857546-40-8), with molecular formula C13H8N6O4 and molecular weight 312.06 g/mol. IUPAC: 5-(3,5-dinitrophenyl)-1-phenyltetrazole.
Chemical Property Profile of 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole
Property Insights of 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole
The XLogP value of 2.1457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole. The TPSA of 129.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole. Following Lipinski's Rule of Five, 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole has 0 hydrogen bond donor(s) and 7 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-dinitrophenyl}-1-phenyl-1H-tetraazole?
The CAS number of 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole is 857546-40-8.
What is the molecular formula of 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole?
The molecular formula of 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole is C13H8N6O4.
What is the molecular weight of 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole?
The molecular weight of 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole is 312.06 g/mol.
Where can I buy 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole?
You can request a quote for 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole 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-dinitrophenyl}-1-phenyl-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-{3,5-dinitrophenyl}-1-phenyl-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.