N-benzyl-1-methyl-5-nitroimidazol-4-amine
TL;DR: N-benzyl-1-methyl-5-nitroimidazol-4-amine (CAS 31999-95-8) is a chemical compound with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1-methyl-5-nitroimidazol-4-amine
Also Known As: N-benzyl-1-methyl-5-nitroimidazol-4-amine, N-benzyl-1-methyl-5-nitro-1H-imidazol-4-amine, Benzyl-(1-methyl-5-nitro-1H-imidazol-4-yl)-amine, benzyl-(1-methyl-5-nitro-imidazol-4-yl)amine, 1-methyl-5-nitro-N-(phenylmethyl)-4-imidazolamine
| Molecular Formula | C11H12N4O2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 1.9404 |
| Topological Polar Surface Area | 72.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09602 |
| Heavy Atoms | 17 |
| Complexity | 521.52264 |
Chemical Identifiers
| CAS Number | 31999-95-8 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2 |
Product Overview
N-benzyl-1-methyl-5-nitroimidazol-4-amine (CAS 31999-95-8), with molecular formula C11H12N4O2 and molecular weight 232.10 g/mol. IUPAC: N-benzyl-1-methyl-5-nitroimidazol-4-amine.
Chemical Property Profile of N-benzyl-1-methyl-5-nitroimidazol-4-amine
Property Insights of N-benzyl-1-methyl-5-nitroimidazol-4-amine
The XLogP value of 1.9404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-1-methyl-5-nitroimidazol-4-amine. The TPSA of 72.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-1-methyl-5-nitroimidazol-4-amine. Following Lipinski's Rule of Five, N-benzyl-1-methyl-5-nitroimidazol-4-amine has 1 hydrogen bond donor(s) and 4 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 N-benzyl-1-methyl-5-nitroimidazol-4-amine?
The CAS number of N-benzyl-1-methyl-5-nitroimidazol-4-amine is 31999-95-8.
What is the molecular formula of N-benzyl-1-methyl-5-nitroimidazol-4-amine?
The molecular formula of N-benzyl-1-methyl-5-nitroimidazol-4-amine is C11H12N4O2.
What is the molecular weight of N-benzyl-1-methyl-5-nitroimidazol-4-amine?
The molecular weight of N-benzyl-1-methyl-5-nitroimidazol-4-amine is 232.10 g/mol.
Where can I buy N-benzyl-1-methyl-5-nitroimidazol-4-amine?
You can request a quote for N-benzyl-1-methyl-5-nitroimidazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-1-methyl-5-nitroimidazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-1-methyl-5-nitroimidazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.