Phenyl selenocyanate
TL;DR: Phenyl selenocyanate (CAS 85853-87-8) 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.
phenyl selenocyanate
Also Known As: Phenyl selenocyanate, Phenylselenocyanate, phenylselenocyanide, selenocyanatobenzene, Phenylseleno cyanide
| Molecular Formula | C7H5NSe |
|---|---|
| Molecular Weight | 182.96 g/mol |
| LogP | 0.49718 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.95872 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 85853-87-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)[Se]C#N |
| InChIKey | NODWRXQVQYOJGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl selenocyanate (CAS 85853-87-8), with molecular formula C7H5NSe and molecular weight 182.96 g/mol. IUPAC: phenyl selenocyanate.
Chemical Property Profile of Phenyl selenocyanate
Property Insights of Phenyl selenocyanate
The XLogP value of 0.49718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl selenocyanate. With a topological polar surface area (TPSA) of 23.8 Ų, Phenyl selenocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl selenocyanate 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 selenocyanate?
The CAS number of Phenyl selenocyanate is 85853-87-8.
What is the molecular formula of Phenyl selenocyanate?
The molecular formula of Phenyl selenocyanate is C7H5NSe.
What is the molecular weight of Phenyl selenocyanate?
The molecular weight of Phenyl selenocyanate is 182.96 g/mol.
Where can I buy Phenyl selenocyanate?
You can request a quote for Phenyl selenocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl selenocyanate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl selenocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.