5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole
TL;DR: 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole (CAS 666208-46-4) is a chemical compound with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole
Also Known As: 5-methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole, AN-465/41860686, 3-nitro-5-(methylsulfonyl)-1-(3-phenylpropyl)-1H-1,2,4-triazole, 5-mesyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole, 5-(Methanesulfonyl)-3-nitro-1-(3-phenylpropyl)-1H-1,2,4-triazole
| Molecular Formula | C12H14N4O4S |
|---|---|
| Molecular Weight | 310.07 g/mol |
| LogP | 1.2226 |
| Topological Polar Surface Area | 107.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.07358 |
| Heavy Atoms | 21 |
| Complexity | 739.87286 |
Chemical Identifiers
| CAS Number | 666208-46-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC(=NN1CCCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole (CAS 666208-46-4), with molecular formula C12H14N4O4S and molecular weight 310.07 g/mol. IUPAC: 5-methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole.
Chemical Property Profile of 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole
Property Insights of 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole
The XLogP value of 1.2226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole. The TPSA of 107.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole. Following Lipinski's Rule of Five, 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole 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 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole?
The CAS number of 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole is 666208-46-4.
What is the molecular formula of 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole?
The molecular formula of 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole is C12H14N4O4S.
What is the molecular weight of 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole?
The molecular weight of 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole is 310.07 g/mol.
Where can I buy 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole?
You can request a quote for 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylsulfonyl-3-nitro-1-(3-phenylpropyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.