6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one (CAS 398-63-0) is a chemical compound with molecular formula C8H6FNO2 and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-4H-1,4-benzoxazin-3-one
Also Known As: 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one, 6-Fluoro-2H-benzo[b][1,4]oxazin-3[4H]-one, 6-fluoro-4H-1,4-benzoxazin-3-one, 6-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE, 5-Methyl-4-nitroimidazole
| Molecular Formula | C8H6FNO2 |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.03825 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 398-63-0 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)F |
| InChIKey | ZKNRUFWEZPGGQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Fluoro-2H-1,4-benzoxazin-3(4H)-one (CAS 398-63-0), with molecular formula C8H6FNO2 and molecular weight 167.04 g/mol. IUPAC: 6-fluoro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 38.3 Ų, 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one has 1 hydrogen bond donor(s) and 3 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 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one is 398-63-0.
What is the molecular formula of 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one is C8H6FNO2.
What is the molecular weight of 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one is 167.04 g/mol.
Where can I buy 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.