1-Benzyl-5-nitroimidazole
TL;DR: 1-Benzyl-5-nitroimidazole (CAS 942070-45-3) is a chemical compound with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-nitroimidazole
Also Known As: 1-Benzyl-5-nitroimidazole, 1-benzyl-5-nitro-1H-imidazole, 1-benzyl-5-nitro-imidazole, 1H-Imidazole, 5-nitro-1-(phenylmethyl)-, 5-NITRO-1-(PHENYLMETHYL)-1H-IMIDAZOLE
| Molecular Formula | C10H9N3O2 |
|---|---|
| Molecular Weight | 203.07 g/mol |
| LogP | 1.8396 |
| Topological Polar Surface Area | 60.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.06947 |
| Heavy Atoms | 15 |
| Complexity | 464.52957 |
Chemical Identifiers
| CAS Number | 942070-45-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC=C2[N+](=O)[O-] |
Product Overview
1-Benzyl-5-nitroimidazole (CAS 942070-45-3), with molecular formula C10H9N3O2 and molecular weight 203.07 g/mol. IUPAC: 1-benzyl-5-nitroimidazole.
Chemical Property Profile of 1-Benzyl-5-nitroimidazole
Property Insights of 1-Benzyl-5-nitroimidazole
The XLogP value of 1.8396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-5-nitroimidazole. The TPSA of 60.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-5-nitroimidazole. Following Lipinski's Rule of Five, 1-Benzyl-5-nitroimidazole has 0 hydrogen bond donor(s) and 3 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-Benzyl-5-nitroimidazole?
The CAS number of 1-Benzyl-5-nitroimidazole is 942070-45-3.
What is the molecular formula of 1-Benzyl-5-nitroimidazole?
The molecular formula of 1-Benzyl-5-nitroimidazole is C10H9N3O2.
What is the molecular weight of 1-Benzyl-5-nitroimidazole?
The molecular weight of 1-Benzyl-5-nitroimidazole is 203.07 g/mol.
Where can I buy 1-Benzyl-5-nitroimidazole?
You can request a quote for 1-Benzyl-5-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-5-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-5-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.