1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-
TL;DR: 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- (CAS 89780-20-1) is a chemical compound with molecular formula C12H8N2OSe and molecular weight 275.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-2-yl-1,2-benzoselenazol-3-one
Also Known As: 2-(2-pyridyl)-1,2-benzoselenazol-3-one, 2-pyridin-2-yl-1,2-benzoselenazol-3-one, 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-, 2-(pyridin-2-yl)-1,2-benzisoselenazol-3(2H)-one
| Molecular Formula | C12H8N2OSe |
|---|---|
| Molecular Weight | 275.98 g/mol |
| LogP | 1.4427 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.9802 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 89780-20-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=CC=N3 |
| InChIKey | KRMWNFOZEGYJPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- (CAS 89780-20-1), with molecular formula C12H8N2OSe and molecular weight 275.98 g/mol. IUPAC: 2-pyridin-2-yl-1,2-benzoselenazol-3-one.
Chemical Property Profile of 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-
Property Insights of 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-
The XLogP value of 1.4427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-. With a topological polar surface area (TPSA) of 33.2 Ų, 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- has 0 hydrogen bond donor(s) and 2 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-(2-pyridinyl)-?
The CAS number of 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- is 89780-20-1.
What is the molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-?
The molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- is C12H8N2OSe.
What is the molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-?
The molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- is 275.98 g/mol.
Where can I buy 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)-?
You can request a quote for 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- 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-(2-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoselenazol-3(2H)-one, 2-(2-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.