4-Methylphenyl selenocyanate
TL;DR: 4-Methylphenyl selenocyanate (CAS 21856-93-9) is a chemical compound with molecular formula C8H7NSe and molecular weight 196.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) selenocyanate
Also Known As: p-Tolyl selenocyanate, 4-Methylphenyl selenocyanate, p-Tolylselenocyanate, (4-methylphenyl) selenocyanate, Selenocyanic acid, p-tolyl ester
| Molecular Formula | C8H7NSe |
|---|---|
| Molecular Weight | 196.97 g/mol |
| LogP | 0.8056 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.97437 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 21856-93-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[Se]C#N |
| InChIKey | BETLDDIJAHKDRN-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl selenocyanate (CAS 21856-93-9), with molecular formula C8H7NSe and molecular weight 196.97 g/mol. IUPAC: (4-methylphenyl) selenocyanate.
Chemical Property Profile of 4-Methylphenyl selenocyanate
Property Insights of 4-Methylphenyl selenocyanate
The XLogP value of 0.8056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl selenocyanate. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Methylphenyl selenocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 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 4-Methylphenyl selenocyanate?
The CAS number of 4-Methylphenyl selenocyanate is 21856-93-9.
What is the molecular formula of 4-Methylphenyl selenocyanate?
The molecular formula of 4-Methylphenyl selenocyanate is C8H7NSe.
What is the molecular weight of 4-Methylphenyl selenocyanate?
The molecular weight of 4-Methylphenyl selenocyanate is 196.97 g/mol.
Where can I buy 4-Methylphenyl selenocyanate?
You can request a quote for 4-Methylphenyl selenocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl selenocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl selenocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.