Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate
TL;DR: Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate (CAS 94855-74-0) is a chemical compound with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]propanedioate
Also Known As: Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate, Propanedioic acid, ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-, dimethyl ester, ((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioic acid dimethyl ester, Dimethyl [(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]propanedioate, dimethyl 2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]propanedioate
| Molecular Formula | C10H11N3O6 |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.0648 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 94855-74-0 |
|---|---|
| SMILES | CN1C(=CN=C1C=C(C(=O)OC)C(=O)OC)[N+](=O)[O-] |
| InChIKey | CLVBFGFOUORHIC-UHFFFAOYSA-N |
Product Overview
Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate (CAS 94855-74-0), with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol. IUPAC: dimethyl 2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]propanedioate.
Chemical Property Profile of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate
Property Insights of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate. Following Lipinski's Rule of Five, Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate has 0 hydrogen bond donor(s) and 7 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 Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate?
The CAS number of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate is 94855-74-0.
What is the molecular formula of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate?
The molecular formula of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate is C10H11N3O6.
What is the molecular weight of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate?
The molecular weight of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate is 269.06 g/mol.
Where can I buy Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate?
You can request a quote for Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.