Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate
TL;DR: Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate (CAS 7464-80-4) is a chemical compound with molecular formula C11H15N3O6 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate
Also Known As: diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate, J1.101.022I, Diethyl (1-methyl-4-nitro-1H-imidazol-5-yl)propanedioate, 1,3-diethyl 2-(1-methyl-4-nitro-1H-imidazol-5-yl)propanedioate, 2-(1-Methyl-4-nitro-1H-imidazole-5-yl)malonic acid diethyl ester
| Molecular Formula | C11H15N3O6 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.0961 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 7464-80-4 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(N=CN1C)[N+](=O)[O-])C(=O)OCC |
| InChIKey | BYCHYDHYKQUMDV-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate (CAS 7464-80-4), with molecular formula C11H15N3O6 and molecular weight 285.10 g/mol. IUPAC: diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate
Property Insights of Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)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 Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate?
The CAS number of Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate is 7464-80-4.
What is the molecular formula of Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate?
The molecular formula of Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate is C11H15N3O6.
What is the molecular weight of Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate?
The molecular weight of Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate is 285.10 g/mol.
Where can I buy Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate?
You can request a quote for Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3-methyl-5-nitroimidazol-4-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.