1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-
TL;DR: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- (CAS 81743-89-7) is a chemical compound with molecular formula C13H8FNOSe and molecular weight 292.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-1,2-benzoselenazol-3-one
Also Known As: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-, 2-(4-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one, 2-(4-Fluorophenyl)-1,2-benzoselenazol-3(2H)-one, 2-(4-Fluorophenyl)benzo[d][1,2]selenazol-3(2H)-one
| Molecular Formula | C13H8FNOSe |
|---|---|
| Molecular Weight | 292.98 g/mol |
| LogP | 2.1868 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.97552 |
| Heavy Atoms | 17 |
| Complexity | 727.00934 |
Chemical Identifiers
| CAS Number | 81743-89-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)F |
Product Overview
1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- (CAS 81743-89-7), with molecular formula C13H8FNOSe and molecular weight 292.98 g/mol. IUPAC: 2-(4-fluorophenyl)-1,2-benzoselenazol-3-one.
Chemical Property Profile of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-
Property Insights of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-
The XLogP value of 2.1868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-. With a topological polar surface area (TPSA) of 22.0 Ų, 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- has 0 hydrogen bond donor(s) and 1 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 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-?
The CAS number of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- is 81743-89-7.
What is the molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-?
The molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- is C13H8FNOSe.
What is the molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-?
The molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- is 292.98 g/mol.
Where can I buy 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-?
You can request a quote for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.