3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one
TL;DR: 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one (CAS 872545-92-1) is a chemical compound with molecular formula C17H11N3O4 and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-yl)-6-methyl-8-nitrochromen-2-one
Also Known As: 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitrochromen-2-one, 3-(1H-benzoimidazol-2-yl)-6-methyl-8-nitro-chromen-2-one, 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one, 3-(1H-benzo[d]imidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one
| Molecular Formula | C17H11N3O4 |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 3.55292 |
| Topological Polar Surface Area | 102.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.07495 |
| Heavy Atoms | 24 |
| Complexity | 1140.6053 |
Chemical Identifiers
| CAS Number | 872545-92-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)C(=C2)C3=NC4=CC=CC=C4N3 |
Product Overview
3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one (CAS 872545-92-1), with molecular formula C17H11N3O4 and molecular weight 321.07 g/mol. IUPAC: 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitrochromen-2-one.
Chemical Property Profile of 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one
Property Insights of 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one
The XLogP value of 3.55292 indicates that 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one has 1 hydrogen bond donor(s) and 5 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 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one?
The CAS number of 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one is 872545-92-1.
What is the molecular formula of 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one?
The molecular formula of 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one is C17H11N3O4.
What is the molecular weight of 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one?
The molecular weight of 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one is 321.07 g/mol.
Where can I buy 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one?
You can request a quote for 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-benzimidazol-2-yl)-6-methyl-8-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.