1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole
TL;DR: 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole (CAS 63734-76-9) is a chemical compound with molecular formula C18H25N3O4S and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
Also Known As: TPSNI, 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole, 6-METHYL-1-TETRALONE, 1- -4-NITROIMIDAZOLE, 4-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
| Molecular Formula | C18H25N3O4S |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | 4.3985 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1566 |
| Heavy Atoms | 26 |
| Complexity | 898.658 |
Chemical Identifiers
| CAS Number | 63734-76-9 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=C(N=C2)[N+](=O)[O-])C(C)C |
Product Overview
1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole (CAS 63734-76-9), with molecular formula C18H25N3O4S and molecular weight 379.16 g/mol. IUPAC: 4-nitro-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole.
Chemical Property Profile of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole
Property Insights of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole
The XLogP value of 4.3985 indicates that 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole. Following Lipinski's Rule of Five, 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole 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-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole?
The CAS number of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole is 63734-76-9.
What is the molecular formula of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole?
The molecular formula of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole is C18H25N3O4S.
What is the molecular weight of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole?
The molecular weight of 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole is 379.16 g/mol.
Where can I buy 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole?
You can request a quote for 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4,6-Triisopropylbenzenesulfonyl)-4-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.