2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate
TL;DR: 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate (CAS 351437-69-9) is a chemical compound with molecular formula C17H14N4O6 and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitrobenzimidazol-1-yl)ethyl 4-nitrobenzoate
Also Known As: 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate, 2-(2-methyl-5-nitrobenzimidazol-1-yl)ethyl 4-nitrobenzoate
| Molecular Formula | C17H14N4O6 |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 3.01812 |
| Topological Polar Surface Area | 130.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.09134 |
| Heavy Atoms | 27 |
| Complexity | 1041.5083 |
Chemical Identifiers
| CAS Number | 351437-69-9 |
|---|---|
| SMILES | CC1=NC2=C(N1CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)[N+](=O)[O-] |
Product Overview
2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate (CAS 351437-69-9), with molecular formula C17H14N4O6 and molecular weight 370.09 g/mol. IUPAC: 2-(2-methyl-5-nitrobenzimidazol-1-yl)ethyl 4-nitrobenzoate.
Chemical Property Profile of 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate
Property Insights of 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate
The XLogP value of 3.01812 indicates that 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate?
The CAS number of 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate is 351437-69-9.
What is the molecular formula of 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate?
The molecular formula of 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate is C17H14N4O6.
What is the molecular weight of 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate?
The molecular weight of 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate is 370.09 g/mol.
Where can I buy 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate?
You can request a quote for 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-nitro-2-methyl-1H-benzimidazol-1-yl}ethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.