Phenyl isoselenocyanate
TL;DR: Phenyl isoselenocyanate (CAS 4426-68-0) is a chemical compound with molecular formula C7H5NSe and molecular weight 182.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoselenocyanatobenzene
Also Known As: Phenyl isoselenocyanate, Isoselenocyanatobenzene, phenylisoselenocyanate, phenyl-isoselenocyanate, Benzene,isoselenocyanato-
| Molecular Formula | C7H5NSe |
|---|---|
| Molecular Weight | 182.96 g/mol |
| LogP | 1.3919 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.95872 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 4426-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C=[Se] |
| InChIKey | VMPYPALZFODHOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl isoselenocyanate (CAS 4426-68-0), with molecular formula C7H5NSe and molecular weight 182.96 g/mol. IUPAC: isoselenocyanatobenzene.
Chemical Property Profile of Phenyl isoselenocyanate
Property Insights of Phenyl isoselenocyanate
The XLogP value of 1.3919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl isoselenocyanate. With a topological polar surface area (TPSA) of 12.4 Ų, Phenyl isoselenocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl isoselenocyanate 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 Phenyl isoselenocyanate?
The CAS number of Phenyl isoselenocyanate is 4426-68-0.
What is the molecular formula of Phenyl isoselenocyanate?
The molecular formula of Phenyl isoselenocyanate is C7H5NSe.
What is the molecular weight of Phenyl isoselenocyanate?
The molecular weight of Phenyl isoselenocyanate is 182.96 g/mol.
Where can I buy Phenyl isoselenocyanate?
You can request a quote for Phenyl isoselenocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl isoselenocyanate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl isoselenocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.