1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-
TL;DR: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- (CAS 81743-92-2) is a chemical compound with molecular formula C13H8N2O3Se and molecular weight 319.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-1,2-benzoselenazol-3-one
Also Known As: 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-, acs.jmedchem.1c00409_ST.161, 2-(4-Nitrophenyl)-1,2-benzisoselenazol-3(2H)-one, 1,2-Benzisoselenazol-3 -one,2- -, 2-(4-nitrophenyl)-1,2-benzoselenazol-3-one
| Molecular Formula | C13H8N2O3Se |
|---|---|
| Molecular Weight | 319.97 g/mol |
| LogP | 1.9559 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.97 |
| Heavy Atoms | 19 |
| Complexity | 817.7706 |
Chemical Identifiers
| CAS Number | 81743-92-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- (CAS 81743-92-2), with molecular formula C13H8N2O3Se and molecular weight 319.97 g/mol. IUPAC: 2-(4-nitrophenyl)-1,2-benzoselenazol-3-one.
Chemical Property Profile of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-
Property Insights of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-
The XLogP value of 1.9559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- 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 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-?
The CAS number of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- is 81743-92-2.
What is the molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-?
The molecular formula of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- is C13H8N2O3Se.
What is the molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-?
The molecular weight of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- is 319.97 g/mol.
Where can I buy 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)-?
You can request a quote for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- 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-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisoselenazol-3(2H)-one, 2-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.