2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-
TL;DR: 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- (CAS 82184-71-2) is a chemical compound with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methyl-2-nitroimidazol-4-yl)prop-2-enoic acid
Also Known As: 3-(3-methyl-2-nitroimidazol-4-yl)prop-2-enoic acid, 2-PROPENOIC ACID,3-(1-METHYL-2-NITRO-1H-IMIDAZOL-5-YL)-
| Molecular Formula | C7H7N3O4 |
|---|---|
| Molecular Weight | 197.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.04366 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 82184-71-2 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])C=CC(=O)O |
| InChIKey | QIEDFWOTSLAYHX-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- (CAS 82184-71-2), with molecular formula C7H7N3O4 and molecular weight 197.04 g/mol. IUPAC: 3-(3-methyl-2-nitroimidazol-4-yl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-
Property Insights of 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-
The XLogP value of -0.2 indicates that 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-. Following Lipinski's Rule of Five, 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- has 1 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 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-?
The CAS number of 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- is 82184-71-2.
What is the molecular formula of 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-?
The molecular formula of 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- is C7H7N3O4.
What is the molecular weight of 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-?
The molecular weight of 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- is 197.04 g/mol.
Where can I buy 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-?
You can request a quote for 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid,3-(1-methyl-2-nitro-1H-imidazol-5-YL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.