![fluoro(phenyl)[?]dione structure](/static/products/5394/53945-64-5.webp)
fluoro(phenyl)[?]dione
TL;DR: fluoro(phenyl)[?]dione (CAS 53945-64-5) is a chemical compound with molecular formula C16H12FN3O2 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,12.03,11.04,8.010,13]tridecane-5,7-dione
Also Known As: fluoro(phenyl)[?]dione, RCL T188611, 1-Fluoro-6-phenyl-4,6,8-triazahexacyclo[7.4.0.0~2,12~.0~3,11~.0~4,8~.0~10,13~]tridecane-5,7-dione, 6a-fluoro-2-phenyl-octahydro-5,8,6,7-dicyclo-dicyclobuta[c,e][1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
| Molecular Formula | C16H12FN3O2 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.09137 |
| Heavy Atoms | 22 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 53945-64-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)N3C4C5C6C4C7(C6C5C7N3C2=O)F |
| InChIKey | MCRDYFROONDLDI-UHFFFAOYSA-N |
Product Overview
fluoro(phenyl)[?]dione (CAS 53945-64-5), with molecular formula C16H12FN3O2 and molecular weight 297.09 g/mol. IUPAC: 1-fluoro-6-phenyl-4,6,8-triazahexacyclo[7.4.0.02,12.03,11.04,8.010,13]tridecane-5,7-dione.
Chemical Property Profile of fluoro(phenyl)[?]dione
Property Insights of fluoro(phenyl)[?]dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for fluoro(phenyl)[?]dione. With a topological polar surface area (TPSA) of 43.9 Ų, fluoro(phenyl)[?]dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, fluoro(phenyl)[?]dione has 0 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 fluoro(phenyl)[?]dione?
The CAS number of fluoro(phenyl)[?]dione is 53945-64-5.
What is the molecular formula of fluoro(phenyl)[?]dione?
The molecular formula of fluoro(phenyl)[?]dione is C16H12FN3O2.
What is the molecular weight of fluoro(phenyl)[?]dione?
The molecular weight of fluoro(phenyl)[?]dione is 297.09 g/mol.
Where can I buy fluoro(phenyl)[?]dione?
You can request a quote for fluoro(phenyl)[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for fluoro(phenyl)[?]dione?
Yes, KEHONG BIO provides custom synthesis services for fluoro(phenyl)[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.