5-Nitro-2-Furoic Acid
TL;DR: 5-Nitro-2-Furoic Acid (CAS 645-12-5) is a chemical compound with molecular formula C5H3NO5 and molecular weight 157.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrofuran-2-carboxylic acid
Also Known As: 5-NITRO-2-FUROIC ACID, 5-Nitrofuran-2-carboxylic acid, Nitrofurate, 5-Nitrofuroic acid, Cuminone
| Molecular Formula | C5H3NO5 |
|---|---|
| Molecular Weight | 157.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.00113 |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 645-12-5 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | IODMEDPPCXSFLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-Furoic Acid (CAS 645-12-5), with molecular formula C5H3NO5 and molecular weight 157.00 g/mol. IUPAC: 5-nitrofuran-2-carboxylic acid.
Chemical Property Profile of 5-Nitro-2-Furoic Acid
Property Insights of 5-Nitro-2-Furoic Acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-Furoic Acid. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-Furoic Acid. Following Lipinski's Rule of Five, 5-Nitro-2-Furoic 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 5-Nitro-2-Furoic Acid?
The CAS number of 5-Nitro-2-Furoic Acid is 645-12-5.
What is the molecular formula of 5-Nitro-2-Furoic Acid?
The molecular formula of 5-Nitro-2-Furoic Acid is C5H3NO5.
What is the molecular weight of 5-Nitro-2-Furoic Acid?
The molecular weight of 5-Nitro-2-Furoic Acid is 157.00 g/mol.
Where can I buy 5-Nitro-2-Furoic Acid?
You can request a quote for 5-Nitro-2-Furoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-Furoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-Furoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.