1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
TL;DR: 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 66108-85-8) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-nitro-1H-benzimidazol-2-one
Also Known As: 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one, 3-methyl-6-nitro-1H-benzimidazol-2-one, 1-methyl-5-nitro-1h-benzo[d]imidazol-2(3h)-one, methylnitrodihydrobenzodiazolone, 1-methyl-5-nitro-1,3-dihydro-2h-benzo[d]imidazol-2-one
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 66108-85-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])NC1=O |
| InChIKey | PXNJJNDWAPIHSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one (CAS 66108-85-8), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: 3-methyl-6-nitro-1H-benzimidazol-2-one.
Chemical Property Profile of 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
Property Insights of 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one. Following Lipinski's Rule of Five, 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one has 1 hydrogen bond donor(s) and 3 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-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The CAS number of 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one is 66108-85-8.
What is the molecular formula of 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular formula of 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one is C8H7N3O3.
What is the molecular weight of 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one?
The molecular weight of 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one is 193.05 g/mol.
Where can I buy 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one?
You can request a quote for 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-nitro-2,3-dihydro-1H-1,3-benzodiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.