Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-
TL;DR: Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- (CAS 81743-99-9) is a chemical compound with molecular formula C14H8N2OSe and molecular weight 299.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxo-1,2-benzoselenazol-2-yl)benzonitrile
Also Known As: 4-(3-Oxo-1,2-benzisoselenazol-2(3H)-yl)benzonitrile, Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, 4-(3-oxo-1,2-benzoselenazol-2-yl)benzonitrile, 4-(3-Oxo-1,2-benzoselenazol-2(3H)-yl)benzonitrile, RefChem:328062
| Molecular Formula | C14H8N2OSe |
|---|---|
| Molecular Weight | 299.98 g/mol |
| LogP | 1.91938 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.9802 |
| Heavy Atoms | 18 |
| Complexity | 806.16656 |
Chemical Identifiers
| CAS Number | 81743-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)C#N |
Product Overview
Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- (CAS 81743-99-9), with molecular formula C14H8N2OSe and molecular weight 299.98 g/mol. IUPAC: 4-(3-oxo-1,2-benzoselenazol-2-yl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-
Property Insights of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-
The XLogP value of 1.91938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-. With a topological polar surface area (TPSA) of 45.79 Ų, Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- 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 Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-?
The CAS number of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- is 81743-99-9.
What is the molecular formula of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-?
The molecular formula of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- is C14H8N2OSe.
What is the molecular weight of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-?
The molecular weight of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- is 299.98 g/mol.
Where can I buy Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-?
You can request a quote for Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.