1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine
TL;DR: 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine (CAS 331275-98-0) is a chemical compound with molecular formula C16H21N5O2 and molecular weight 315.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine
Also Known As: BAS 00380616, 1-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine, 1-(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)-4-methylpiperazine, 1-(3-Benzyl-2-methyl-5-nitro-3H-imidazol-4-yl)-4-methyl-piperazine, 4-methyl-1-[2-methyl-4-nitro-1-benzylimidazol-5-yl]piperazine
| Molecular Formula | C16H21N5O2 |
|---|---|
| Molecular Weight | 315.17 g/mol |
| LogP | 1.89982 |
| Topological Polar Surface Area | 67.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.16953 |
| Heavy Atoms | 23 |
| Complexity | 689.9962 |
Chemical Identifiers
| CAS Number | 331275-98-0 |
|---|---|
| SMILES | CC1=NC(=C(N1CC2=CC=CC=C2)N3CCN(CC3)C)[N+](=O)[O-] |
Product Overview
1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine (CAS 331275-98-0), with molecular formula C16H21N5O2 and molecular weight 315.17 g/mol. IUPAC: 1-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine.
Chemical Property Profile of 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine
Property Insights of 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine
The XLogP value of 1.89982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine. The TPSA of 67.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine. Following Lipinski's Rule of Five, 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine 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-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine?
The CAS number of 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine is 331275-98-0.
What is the molecular formula of 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine?
The molecular formula of 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine is C16H21N5O2.
What is the molecular weight of 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine?
The molecular weight of 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine is 315.17 g/mol.
Where can I buy 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine?
You can request a quote for 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Benzyl-2-methyl-5-nitroimidazol-4-yl)-4-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.