5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole
TL;DR: 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole (CAS 21994-57-0) is a chemical compound with molecular formula C7H5N5O2 and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-nitrophenyl)-2H-tetrazole
Also Known As: 5-(3-nitrophenyl)-2H-tetrazole, 5-(3-Nitrophenyl)-1h-tetrazole, 5-(3-nitrophenyl)tetrazole, 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole, 5-m-nitrophenyltetrazole
| Molecular Formula | C7H5N5O2 |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.04433 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 21994-57-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNN=N2 |
| InChIKey | ZJFFBXHGOXPKCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole (CAS 21994-57-0), with molecular formula C7H5N5O2 and molecular weight 191.04 g/mol. IUPAC: 5-(3-nitrophenyl)-2H-tetrazole.
Chemical Property Profile of 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole
Property Insights of 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole. Following Lipinski's Rule of Five, 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole has 1 hydrogen bond donor(s) and 5 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-nitrophenyl)-2H-1,2,3,4-tetrazole?
The CAS number of 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole is 21994-57-0.
What is the molecular formula of 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole?
The molecular formula of 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole is C7H5N5O2.
What is the molecular weight of 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole?
The molecular weight of 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole is 191.04 g/mol.
Where can I buy 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole?
You can request a quote for 5-(3-nitrophenyl)-2H-1,2,3,4-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-nitrophenyl)-2H-1,2,3,4-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-nitrophenyl)-2H-1,2,3,4-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.