Nitrofurantoin
TL;DR: Nitrofurantoin (CAS 1516934-90-9) is a chemical compound with molecular formula C8H6N4O5 and molecular weight 238.03381 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Also Known As: nitrofurantoin, Macrodantin, Furadantin, Furadantoin, Furadonine
Technical Specifications
| Molecular Formula | C8H6N4O5 |
| Molecular Weight | 238.03381 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.03381 Da |
| Heavy Atoms | 17 |
| Complexity | 390.0 |
| SMILES | C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | NXFQHRVNIOXGAQ-YCRREMRBSA-N |
Chemical Property Profile of Nitrofurantoin
Property Insights of Nitrofurantoin
The XLogP value of -0.5 indicates that Nitrofurantoin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrofurantoin. Following Lipinski's Rule of Five, Nitrofurantoin 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
What is the CAS number of Nitrofurantoin?
The CAS number of Nitrofurantoin is 1516934-90-9.
What is the molecular formula of Nitrofurantoin?
The molecular formula of Nitrofurantoin is C8H6N4O5.
What is the molecular weight of Nitrofurantoin?
The molecular weight of Nitrofurantoin is 238.03381 g/mol.
Where can I buy Nitrofurantoin?
You can request a quote for Nitrofurantoin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nitrofurantoin?
Yes, CoreyChem provides custom synthesis services for Nitrofurantoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.