1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde
TL;DR: 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde (CAS 727366-73-6) is a chemical compound with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-6-nitro-2-oxobenzimidazole-5-carbaldehyde
Also Known As: 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde, 1,3-dimethyl-6-nitro-2-oxobenzimidazole-5-carbaldehyde, 1,3-Dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carbaldehyde, 1,3-dimethyl-6-nitro-2-oxo-benzimidazole-5-carbaldehyde, 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carbaldehyde
| Molecular Formula | C10H9N3O4 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 0.5977 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.05931 |
| Heavy Atoms | 17 |
| Complexity | 695.6194 |
Chemical Identifiers
| CAS Number | 727366-73-6 |
|---|---|
| SMILES | CN1C2=C(C=C(C(=C2)C=O)[N+](=O)[O-])N(C1=O)C |
Product Overview
1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde (CAS 727366-73-6), with molecular formula C10H9N3O4 and molecular weight 235.06 g/mol. IUPAC: 1,3-dimethyl-6-nitro-2-oxobenzimidazole-5-carbaldehyde.
Chemical Property Profile of 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde
Property Insights of 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde
The XLogP value of 0.5977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde. Following Lipinski's Rule of Five, 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde has 0 hydrogen bond donor(s) and 4 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 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde?
The CAS number of 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde is 727366-73-6.
What is the molecular formula of 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde?
The molecular formula of 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde is C10H9N3O4.
What is the molecular weight of 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde?
The molecular weight of 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde is 235.06 g/mol.
Where can I buy 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde?
You can request a quote for 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.