1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole
TL;DR: 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole (CAS 727675-31-2) is a chemical compound with molecular formula C8H6ClN5O2 and molecular weight 239.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-methyl-4-nitrophenyl)tetrazole
Also Known As: 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole, 1-(5-chloro-2-methyl-4-nitrophenyl)tetrazole, 1-(5-chloro-2-methyl-4-nitro-phenyl)tetrazole, 1H-tetrazole, 1-(5-chloro-2-methyl-4-nitrophenyl)-, 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-1,2,3,4-tetrazole
| Molecular Formula | C8H6ClN5O2 |
|---|---|
| Molecular Weight | 239.02 g/mol |
| LogP | 1.53232 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.021 |
| Heavy Atoms | 16 |
| Complexity | 539.61176 |
Chemical Identifiers
| CAS Number | 727675-31-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N2C=NN=N2)Cl)[N+](=O)[O-] |
Product Overview
1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole (CAS 727675-31-2), with molecular formula C8H6ClN5O2 and molecular weight 239.02 g/mol. IUPAC: 1-(5-chloro-2-methyl-4-nitrophenyl)tetrazole.
Chemical Property Profile of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole
Property Insights of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole
The XLogP value of 1.53232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole. Following Lipinski's Rule of Five, 1-(5-chloro-2-methyl-4-nitrophenyl)-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
Frequently Asked Questions
What is the CAS number of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole?
The CAS number of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole is 727675-31-2.
What is the molecular formula of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole?
The molecular formula of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole is C8H6ClN5O2.
What is the molecular weight of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole?
The molecular weight of 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole is 239.02 g/mol.
Where can I buy 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole?
You can request a quote for 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-chloro-2-methyl-4-nitrophenyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.