2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole
TL;DR: 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole (CAS 69571-00-2) is a chemical compound with molecular formula C13H9N5O4 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(6-nitro-1H-benzimidazol-2-yl)aniline
Also Known As: 2-(4'-amino-3'-nitrophenyl)-5-nitrobenzimidazole, 2-nitro-4-(5-nitrobenzimidazol-2-yl)phenylamine, 2-nitro-4-(6-nitro-1H-benzimidazol-2-yl)aniline, 2-nitro-4-(6-nitro-1H-benzoimidazol-2-yl)aniline
| Molecular Formula | C13H9N5O4 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.6285 |
| Topological Polar Surface Area | 140.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.06546 |
| Heavy Atoms | 22 |
| Complexity | 917.9345 |
Chemical Identifiers
| CAS Number | 69571-00-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N |
Product Overview
2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole (CAS 69571-00-2), with molecular formula C13H9N5O4 and molecular weight 299.07 g/mol. IUPAC: 2-nitro-4-(6-nitro-1H-benzimidazol-2-yl)aniline.
Chemical Property Profile of 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole
Property Insights of 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole
The XLogP value of 2.6285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole. The TPSA of 140.98 Ų indicates high polarity, suggesting 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole has 2 hydrogen bond donor(s) and 6 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-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole?
The CAS number of 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole is 69571-00-2.
What is the molecular formula of 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole?
The molecular formula of 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole is C13H9N5O4.
What is the molecular weight of 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole?
The molecular weight of 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole is 299.07 g/mol.
Where can I buy 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole?
You can request a quote for 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4'-Amino-3'-nitrophenyl)-5-nitrobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.