3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid
TL;DR: 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid (CAS 74550-88-2) is a chemical compound with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid
Also Known As: 2-propenoicacid,3-2-phenoxy-
| Molecular Formula | C13H11N3O5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.0699 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 74550-88-2 |
|---|---|
| SMILES | CN1C(=CN=C1C=C(C(=O)O)OC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | SZFKMKKCZHBKOU-UHFFFAOYSA-N |
Product Overview
3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid (CAS 74550-88-2), with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol. IUPAC: 3-(1-methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid.
Chemical Property Profile of 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid
Property Insights of 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid. Following Lipinski's Rule of Five, 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid?
The CAS number of 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid is 74550-88-2.
What is the molecular formula of 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid?
The molecular formula of 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid is C13H11N3O5.
What is the molecular weight of 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid?
The molecular weight of 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid is 289.07 g/mol.
Where can I buy 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid?
You can request a quote for 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Methyl-5-nitroimidazol-2-yl)-2-phenoxyprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.