Nifurstyrenate
TL;DR: Nifurstyrenate (CAS 1534-38-9) is a chemical compound with molecular formula C13H9NO5 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
Also Known As: Nifurstyrenate, 5-nitro-2-(p-carboxy styryl)-furan, 4-(2-(5-Nitrofuran-2-yl)vinyl)benzoic acid
| Molecular Formula | C13H9NO5 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.04807 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 1534-38-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(O2)[N+](=O)[O-])C(=O)O |
| InChIKey | NWSQQZAVPSDJIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nifurstyrenate (CAS 1534-38-9), with molecular formula C13H9NO5 and molecular weight 259.05 g/mol. IUPAC: 4-[2-(5-nitrofuran-2-yl)ethenyl]benzoic acid.
Chemical Property Profile of Nifurstyrenate
Property Insights of Nifurstyrenate
The XLogP value of 3.0 indicates that Nifurstyrenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nifurstyrenate. Following Lipinski's Rule of Five, Nifurstyrenate 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 Nifurstyrenate?
The CAS number of Nifurstyrenate is 1534-38-9.
What is the molecular formula of Nifurstyrenate?
The molecular formula of Nifurstyrenate is C13H9NO5.
What is the molecular weight of Nifurstyrenate?
The molecular weight of Nifurstyrenate is 259.05 g/mol.
Where can I buy Nifurstyrenate?
You can request a quote for Nifurstyrenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nifurstyrenate?
Yes, KEHONG BIO provides custom synthesis services for Nifurstyrenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.