1-{2,4-bisnitrobenzoyl}-1H-benzimidazole
TL;DR: 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole (CAS 294648-45-6) is a chemical compound with molecular formula C14H8N4O5 and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzimidazol-1-yl-(2,4-dinitrophenyl)methanone
Also Known As: 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole, benzimidazol-1-yl-(2,4-dinitrophenyl)methanone, benzimidazolyl 2,4-dinitrophenyl ketone, BAS 00542045, 1H-benzimidazol-1-yl(2,4-dinitrophenyl)methanone
| Molecular Formula | C14H8N4O5 |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 2.5412 |
| Topological Polar Surface Area | 121.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.04947 |
| Heavy Atoms | 23 |
| Complexity | 962.71094 |
Chemical Identifiers
| CAS Number | 294648-45-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-{2,4-bisnitrobenzoyl}-1H-benzimidazole (CAS 294648-45-6), with molecular formula C14H8N4O5 and molecular weight 312.05 g/mol. IUPAC: benzimidazol-1-yl-(2,4-dinitrophenyl)methanone.
Chemical Property Profile of 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole
Property Insights of 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole
The XLogP value of 2.5412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole. The TPSA of 121.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole. Following Lipinski's Rule of Five, 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole has 0 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 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole?
The CAS number of 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole is 294648-45-6.
What is the molecular formula of 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole?
The molecular formula of 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole is C14H8N4O5.
What is the molecular weight of 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole?
The molecular weight of 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole is 312.05 g/mol.
Where can I buy 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole?
You can request a quote for 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{2,4-bisnitrobenzoyl}-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.