6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine
TL;DR: 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine (CAS 321309-30-2) is a chemical compound with molecular formula C9H6FNO3 and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-8-isocyanato-4H-1,3-benzodioxine
Also Known As: 6-FLUORO-4H-1,3-BENZODIOXIN-8-YL ISOCYANATE, 6-fluoro-8-isocyanato-4H-1,3-benzodioxine, 6-Fluoro-8-isocyanato-4H-benzo[1,3]dioxine, 6-fluoro-8-isocyanato-2,4-dihydro-1,3-benzodioxine, 6-FLUORO-4H-1,3-BENZODIOXIN-8-ylisoCYANATE
| Molecular Formula | C9H6FNO3 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 1.6595 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.03317 |
| Heavy Atoms | 14 |
| Complexity | 412.76324 |
Chemical Identifiers
| CAS Number | 321309-30-2 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)F)N=C=O)OCO1 |
Product Overview
6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine (CAS 321309-30-2), with molecular formula C9H6FNO3 and molecular weight 195.03 g/mol. IUPAC: 6-fluoro-8-isocyanato-4H-1,3-benzodioxine.
Chemical Property Profile of 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine
Property Insights of 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine
The XLogP value of 1.6595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine. With a topological polar surface area (TPSA) of 47.89 Ų, 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine 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 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine?
The CAS number of 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine is 321309-30-2.
What is the molecular formula of 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine?
The molecular formula of 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine is C9H6FNO3.
What is the molecular weight of 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine?
The molecular weight of 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine is 195.03 g/mol.
Where can I buy 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine?
You can request a quote for 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-8-isocyanato-4H-benzo(1,3)dioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.