5-o-Nitrophenyl-2,4-pentadienoic acid
TL;DR: 5-o-Nitrophenyl-2,4-pentadienoic acid (CAS 91092-94-3) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-nitrophenyl)penta-2,4-dienoic acid
Also Known As: NCIOpen2_004584, 5-(2-nitrophenyl)penta-2,4-dienoic acid, 5-o-nitrophenyl-2,4-pentadienoic acid, (2E,4E)-5-(2-nitrophenyl)penta-2,4-dienoic acid
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 91092-94-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=CC=CC(=O)O)[N+](=O)[O-] |
| InChIKey | IJXZQTLMGOOIAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-o-Nitrophenyl-2,4-pentadienoic acid (CAS 91092-94-3), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: 5-(2-nitrophenyl)penta-2,4-dienoic acid.
Chemical Property Profile of 5-o-Nitrophenyl-2,4-pentadienoic acid
Property Insights of 5-o-Nitrophenyl-2,4-pentadienoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-o-Nitrophenyl-2,4-pentadienoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-o-Nitrophenyl-2,4-pentadienoic acid. Following Lipinski's Rule of Five, 5-o-Nitrophenyl-2,4-pentadienoic acid has 1 hydrogen bond donor(s) and 4 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 5-o-Nitrophenyl-2,4-pentadienoic acid?
The CAS number of 5-o-Nitrophenyl-2,4-pentadienoic acid is 91092-94-3.
What is the molecular formula of 5-o-Nitrophenyl-2,4-pentadienoic acid?
The molecular formula of 5-o-Nitrophenyl-2,4-pentadienoic acid is C11H9NO4.
What is the molecular weight of 5-o-Nitrophenyl-2,4-pentadienoic acid?
The molecular weight of 5-o-Nitrophenyl-2,4-pentadienoic acid is 219.05 g/mol.
Where can I buy 5-o-Nitrophenyl-2,4-pentadienoic acid?
You can request a quote for 5-o-Nitrophenyl-2,4-pentadienoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-o-Nitrophenyl-2,4-pentadienoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-o-Nitrophenyl-2,4-pentadienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.