5-Fluoroisatoic anhydride
TL;DR: 5-Fluoroisatoic anhydride (CAS 78755-94-9) is a chemical compound with molecular formula C8H4FNO3 and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-1H-3,1-benzoxazine-2,4-dione
Also Known As: 5-Fluoroisatoic anhydride, 5-Fluoroisatonic anhydride, 6-Fluoroisatoic anhydride, 6-fluoro-1H-benzo[d][1,3]oxazine-2,4-dione, 6-fluoro-1H-3,1-benzoxazine-2,4-dione
| Molecular Formula | C8H4FNO3 |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.01752 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 78755-94-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=O)OC(=O)N2 |
| InChIKey | UBKGOWGNYKVYEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoroisatoic anhydride (CAS 78755-94-9), with molecular formula C8H4FNO3 and molecular weight 181.02 g/mol. IUPAC: 6-fluoro-1H-3,1-benzoxazine-2,4-dione.
Chemical Property Profile of 5-Fluoroisatoic anhydride
Property Insights of 5-Fluoroisatoic anhydride
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoroisatoic anhydride. With a topological polar surface area (TPSA) of 55.4 Ų, 5-Fluoroisatoic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoroisatoic anhydride has 1 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-Fluoroisatoic anhydride?
The CAS number of 5-Fluoroisatoic anhydride is 78755-94-9.
What is the molecular formula of 5-Fluoroisatoic anhydride?
The molecular formula of 5-Fluoroisatoic anhydride is C8H4FNO3.
What is the molecular weight of 5-Fluoroisatoic anhydride?
The molecular weight of 5-Fluoroisatoic anhydride is 181.02 g/mol.
Where can I buy 5-Fluoroisatoic anhydride?
You can request a quote for 5-Fluoroisatoic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoroisatoic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoroisatoic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.