![1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one structure](/static/products/1378/137888-34-7.webp)
1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one
TL;DR: 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one (CAS 137888-34-7) is a chemical compound with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one
Also Known As: 2H-Azepin-2-one, hexahydro-1-methyl-3-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-, 1-Methyl-3-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)azepan-2-one, (3E)-1-methyl-3-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]azepan-2-one, Hexahydro-1-methyl-3-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-2H-azepin-2-one
| Molecular Formula | C12H16N4O3 |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.12225 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 137888-34-7 |
|---|---|
| SMILES | CN1CCCCC(=CC2=NC=C(N2C)[N+](=O)[O-])C1=O |
| InChIKey | PGRCTGVOXJFEKY-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one (CAS 137888-34-7), with molecular formula C12H16N4O3 and molecular weight 264.12 g/mol. IUPAC: 1-methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one.
Chemical Property Profile of 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one
Property Insights of 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one. Following Lipinski's Rule of Five, 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one 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-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one?
The CAS number of 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one is 137888-34-7.
What is the molecular formula of 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one?
The molecular formula of 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one is C12H16N4O3.
What is the molecular weight of 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one?
The molecular weight of 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one is 264.12 g/mol.
Where can I buy 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one?
You can request a quote for 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-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-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.