呋喃妥因
TL;DR: 呋喃妥因 (CAS 67-20-9) is a chemical compound with molecular formula C8H6N4O5 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
呋喃妥因
1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
Also Known As: nitrofurantoin, Furantoin, Spectrum2_001046, Spectrum3_000517, Spectrum4_000075
| Molecular Formula | C8H6N4O5 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.03381 |
| Heavy Atoms | 17 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 67-20-9 |
|---|---|
| SMILES | C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | NXFQHRVNIOXGAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
呋喃妥因 (CAS 67-20-9), with molecular formula C8H6N4O5 and molecular weight 238.03 g/mol. IUPAC: 1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione.
Chemical Property Profile of 呋喃妥因
Property Insights of 呋喃妥因
The XLogP value of -0.5 indicates that 呋喃妥因 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 呋喃妥因. Following Lipinski's Rule of Five, 呋喃妥因 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
Frequently Asked Questions
What is the CAS number of 呋喃妥因?
The CAS number of 呋喃妥因 is 67-20-9.
What is the molecular formula of 呋喃妥因?
The molecular formula of 呋喃妥因 is C8H6N4O5.
What is the molecular weight of 呋喃妥因?
The molecular weight of 呋喃妥因 is 238.03 g/mol.
Where can I buy 呋喃妥因?
You can request a quote for 呋喃妥因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 呋喃妥因?
Yes, KEHONG BIO provides custom synthesis services for 呋喃妥因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.