2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole
TL;DR: 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole (CAS 53369-85-0) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-4-nitro-1-propylbenzimidazole
Also Known As: 2,6-dimethyl-4-nitro-1-propylbenzimidazole, 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole, 2,6-dimethyl-4-nitro-1-propyl-1H-benzoimidazole, 2,6-Dimethyl-4-nitro-1-propyl-1H-1,3-benzimidazole
| Molecular Formula | C12H15N3O2 |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.11642 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 53369-85-0 |
|---|---|
| SMILES | CCCN1C(=NC2=C1C=C(C=C2[N+](=O)[O-])C)C |
| InChIKey | BMNWYIZEDNAXCV-UHFFFAOYSA-N |
Product Overview
2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole (CAS 53369-85-0), with molecular formula C12H15N3O2 and molecular weight 233.12 g/mol. IUPAC: 2,6-dimethyl-4-nitro-1-propylbenzimidazole.
Chemical Property Profile of 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole
Property Insights of 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole 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 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole?
The CAS number of 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole is 53369-85-0.
What is the molecular formula of 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole?
The molecular formula of 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole is C12H15N3O2.
What is the molecular weight of 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole?
The molecular weight of 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole is 233.12 g/mol.
Where can I buy 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole?
You can request a quote for 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-nitro-1-propyl-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.