5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole
TL;DR: 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole (CAS 313527-01-4) is a chemical compound with molecular formula C3H3N9O2 and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole
Also Known As: BAS 00313814, 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole, 5-nitro-1-(1H-tetraazol-5-ylmethyl)-1H-tetraazole, 5-Nitro-1-(1H-tetrazol-5-ylmethyl)-1H-tetrazole
| Molecular Formula | C3H3N9O2 |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | -1.8573 |
| Topological Polar Surface Area | 141.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.04097 |
| Heavy Atoms | 14 |
| Complexity | 430.61148 |
Chemical Identifiers
| CAS Number | 313527-01-4 |
|---|---|
| SMILES | C(C1=NNN=N1)N2C(=NN=N2)[N+](=O)[O-] |
Product Overview
5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole (CAS 313527-01-4), with molecular formula C3H3N9O2 and molecular weight 197.04 g/mol. IUPAC: 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole.
Chemical Property Profile of 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole
Property Insights of 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole
The XLogP value of -1.8573 indicates that 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.2 Ų indicates high polarity, suggesting 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole has 1 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-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole?
The CAS number of 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole is 313527-01-4.
What is the molecular formula of 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole?
The molecular formula of 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole is C3H3N9O2.
What is the molecular weight of 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole?
The molecular weight of 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole is 197.04 g/mol.
Where can I buy 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole?
You can request a quote for 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-1-(2H-tetrazol-5-ylmethyl)tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.