5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole
TL;DR: 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole (CAS 107270-49-5) is a chemical compound with molecular formula C8H6ClN5O2 and molecular weight 239.021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-1-(4-nitrophenyl)tetrazole
Also Known As: 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole, 5-(chloromethyl)-1-(4-nitrophenyl)tetrazole, BAS 01516607, 1H-Tetrazole, 5-(chloromethyl)-1-(4-nitrophenyl)-, BB 0256676
Technical Specifications
| Molecular Formula | C8H6ClN5O2 |
| Molecular Weight | 239.021 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 89.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.021 Da |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
| SMILES | C1=CC(=CC=C1N2C(=NN=N2)CCl)[N+](=O)[O-] |
| InChIKey | UDRUPPHUONOWEL-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole
Property Insights of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole. Following Lipinski's Rule of Five, 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole?
The CAS number of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole is 107270-49-5.
What is the molecular formula of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole?
The molecular formula of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole is C8H6ClN5O2.
What is the molecular weight of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole?
The molecular weight of 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole is 239.021 g/mol.
Where can I buy 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole?
You can request a quote for 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole?
Yes, CoreyChem provides custom synthesis services for 5-Chloromethyl-1-(4-nitro-phenyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.