5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole
TL;DR: 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole (CAS 848340-90-9) is a chemical compound with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-1-(3-nitro-2-pyridinyl)benzimidazole
Also Known As: 5,6-dimethyl-1-(3-nitropyridin-2-yl)benzimidazole, 5,6-dimethyl-1-(3-nitropyridin-2-yl)benzoimidazole, 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole
| Molecular Formula | C14H12N4O2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 2.94554 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.09604 |
| Heavy Atoms | 20 |
| Complexity | 823.15204 |
Chemical Identifiers
| CAS Number | 848340-90-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=CC=N3)[N+](=O)[O-] |
Product Overview
5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole (CAS 848340-90-9), with molecular formula C14H12N4O2 and molecular weight 268.10 g/mol. IUPAC: 5,6-dimethyl-1-(3-nitro-2-pyridinyl)benzimidazole.
Chemical Property Profile of 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole
Property Insights of 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole
The XLogP value of 2.94554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole. Following Lipinski's Rule of Five, 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole has 0 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 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole?
The CAS number of 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole is 848340-90-9.
What is the molecular formula of 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole?
The molecular formula of 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole is C14H12N4O2.
What is the molecular weight of 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole?
The molecular weight of 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole is 268.10 g/mol.
Where can I buy 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole?
You can request a quote for 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-1-(3-nitropyridin-2-yl)-1H-1,3-benzodiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.