1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole
TL;DR: 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole (CAS 332906-73-7) is a chemical compound with molecular formula C12H9N5O2S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methyl-3-nitrophenyl)-5-thiophen-2-yltetrazole
Also Known As: 1-(4-methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole, BAS 01556273, 1-(4-methyl-3-nitrophenyl)-5-thiophen-2-yltetrazole, 1-{3-nitro-4-methylphenyl}-5-thien-2-yl-1H-tetraazole, 1-(4-Methyl-3-nitro-phenyl)-5-thiophen-2-yl-1H-tetrazole
| Molecular Formula | C12H9N5O2S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 2.60742 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0477 |
| Heavy Atoms | 20 |
| Complexity | 766.013 |
Chemical Identifiers
| CAS Number | 332906-73-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=N2)C3=CC=CS3)[N+](=O)[O-] |
Product Overview
1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole (CAS 332906-73-7), with molecular formula C12H9N5O2S and molecular weight 287.05 g/mol. IUPAC: 1-(4-methyl-3-nitrophenyl)-5-thiophen-2-yltetrazole.
Chemical Property Profile of 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole
Property Insights of 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole
The XLogP value of 2.60742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole. Following Lipinski's Rule of Five, 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole has 0 hydrogen bond donor(s) and 6 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-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole?
The CAS number of 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole is 332906-73-7.
What is the molecular formula of 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole?
The molecular formula of 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole is C12H9N5O2S.
What is the molecular weight of 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole?
The molecular weight of 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole is 287.05 g/mol.
Where can I buy 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole?
You can request a quote for 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-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-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methyl-3-nitrophenyl)-5-(2-thienyl)-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.