5-Fluorobenzofuroxan
TL;DR: 5-Fluorobenzofuroxan (CAS 36389-16-9) is a chemical compound with molecular formula C6H3FN2O2 and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1-oxido-2,1,3-benzoxadiazol-1-ium
Also Known As: 5-Fluorobenzofuroxan, 5-fluoro-1-oxido-2,1,3-benzoxadiazol-1-ium, 5-Fluoro-benzo[1,2,5]oxadiazole 1-oxide, 5-fluoro-2,1,3-benzoxadiazole 1-oxide, 5-fluorobenzo[c][1,2,5]oxadiazole 1-oxide
| Molecular Formula | C6H3FN2O2 |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.01785 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 36389-16-9 |
|---|---|
| SMILES | C1=CC2=[N+](ON=C2C=C1F)[O-] |
| InChIKey | QGJICKKZZHDRBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluorobenzofuroxan (CAS 36389-16-9), with molecular formula C6H3FN2O2 and molecular weight 154.02 g/mol. IUPAC: 5-fluoro-1-oxido-2,1,3-benzoxadiazol-1-ium.
Chemical Property Profile of 5-Fluorobenzofuroxan
Property Insights of 5-Fluorobenzofuroxan
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluorobenzofuroxan. With a topological polar surface area (TPSA) of 51.5 Ų, 5-Fluorobenzofuroxan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluorobenzofuroxan has 0 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-Fluorobenzofuroxan?
The CAS number of 5-Fluorobenzofuroxan is 36389-16-9.
What is the molecular formula of 5-Fluorobenzofuroxan?
The molecular formula of 5-Fluorobenzofuroxan is C6H3FN2O2.
What is the molecular weight of 5-Fluorobenzofuroxan?
The molecular weight of 5-Fluorobenzofuroxan is 154.02 g/mol.
Where can I buy 5-Fluorobenzofuroxan?
You can request a quote for 5-Fluorobenzofuroxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluorobenzofuroxan?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluorobenzofuroxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.