![4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid structure](/static/products/3052/30529-16-9.webp)
4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid
TL;DR: 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid (CAS 30529-16-9) is a chemical compound with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid
Also Known As: Stirimazole, 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid, Benzoic acid,4-[2-(1-ethenyl-5-nitro-1H-imidazol-2-yl)ethenyl]-
| Molecular Formula | C14H11N3O4 |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.07495 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 30529-16-9 |
|---|---|
| SMILES | C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | RBNZISNWCHORNF-UHFFFAOYSA-N |
Product Overview
4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid (CAS 30529-16-9), with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol. IUPAC: 4-[2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid.
Chemical Property Profile of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid
Property Insights of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid. Following Lipinski's Rule of Five, 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid 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 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid?
The CAS number of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid is 30529-16-9.
What is the molecular formula of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid?
The molecular formula of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid is C14H11N3O4.
What is the molecular weight of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid?
The molecular weight of 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid is 285.07 g/mol.
Where can I buy 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid?
You can request a quote for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(1-Ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.