Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
TL;DR: Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone (CAS 332116-77-5) is a chemical compound with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
Also Known As: BAS 01129252, benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone, benzimidazolyl 4,5-dimethoxy-2-nitrophenyl ketone, 1-{2-nitro-4,5-dimethoxybenzoyl}-1H-benzimidazole, 1H-benzimidazol-1-yl(4,5-dimethoxy-2-nitrophenyl)methanone
| Molecular Formula | C16H13N3O5 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.0855 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 332116-77-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)N2C=NC3=CC=CC=C32)[N+](=O)[O-])OC |
| InChIKey | GCMYFZCGWWGXJW-UHFFFAOYSA-N |
Product Overview
Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone (CAS 332116-77-5), with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol. IUPAC: benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone.
Chemical Property Profile of Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
Property Insights of Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone. Following Lipinski's Rule of Five, Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone 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 Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The CAS number of Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone is 332116-77-5.
What is the molecular formula of Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The molecular formula of Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone is C16H13N3O5.
What is the molecular weight of Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
The molecular weight of Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone is 327.09 g/mol.
Where can I buy Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
You can request a quote for Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazol-1-yl-(4,5-dimethoxy-2-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.