6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one
TL;DR: 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one (CAS 60041-88-5) is a chemical compound with molecular formula C13H8FN3O and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-3-phenyl-1,2,3-benzotriazin-4-one
Also Known As: 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one, 6-fluoro-3-phenyl-1,2,3-benzotriazin-4-one, J3.510.875K, 1,2,3-BENZOTRIAZIN-4(3H)-ONE,6-FLUORO-3-PHENYL-, 3-Phenyl-6-fluoro-3,4-dihydro-1,2,3-benzotriazine-4-one
| Molecular Formula | C13H8FN3O |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.06514 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 60041-88-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)F)N=N2 |
| InChIKey | HHNRWMZIZXPALN-UHFFFAOYSA-N |
Product Overview
6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one (CAS 60041-88-5), with molecular formula C13H8FN3O and molecular weight 241.07 g/mol. IUPAC: 6-fluoro-3-phenyl-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one
Property Insights of 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 3.2 indicates that 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.0 Ų, 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one 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-3-phenyl-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one is 60041-88-5.
What is the molecular formula of 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one is C13H8FN3O.
What is the molecular weight of 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one is 241.07 g/mol.
Where can I buy 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-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-3-phenyl-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-3-phenyl-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.