Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate
TL;DR: Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate (CAS 40361-79-3) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-nitroimidazole-4-carboxylate
Also Known As: METHYL 3-METHYL-2-NITRO-3H-IMIDAZOLE-4-CARBOXYLATE, 1-Phenethylpiperidine, 3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester, METHYL 1-METHYL-2-NITRO-1H-IMIDAZOLE-5-CARBOXYLATE, methyl 3-methyl-2-nitroimidazole-4-carboxylate
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 40361-79-3 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C(=O)OC |
| InChIKey | BQTWOZOPNUFRHG-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate (CAS 40361-79-3), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: methyl 3-methyl-2-nitroimidazole-4-carboxylate.
Chemical Property Profile of Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate
Property Insights of Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate?
The CAS number of Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate is 40361-79-3.
What is the molecular formula of Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate?
The molecular formula of Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate is C6H7N3O4.
What is the molecular weight of Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate?
The molecular weight of Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate is 185.04 g/mol.
Where can I buy Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate?
You can request a quote for Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.