Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate
TL;DR: Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate (CAS 85539-83-9) is a chemical compound with molecular formula C10H8N2Se2 and molecular weight 315.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(selenocyanatomethyl)phenyl]methyl selenocyanate
Also Known As: p-XSC, p-Xyleneselenocyanate, 1,4-Phenylenebis(methylene)selenocyanate, para-Xylylselenocyanate, Phenylenebis(methylene)selenocyanate
| Molecular Formula | C10H8N2Se2 |
|---|---|
| Molecular Weight | 315.90 g/mol |
| LogP | 1.06 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.9018 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 85539-83-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C[Se]C#N)C[Se]C#N |
| InChIKey | QFTBWTJGZHUOAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate (CAS 85539-83-9), with molecular formula C10H8N2Se2 and molecular weight 315.90 g/mol. IUPAC: [4-(selenocyanatomethyl)phenyl]methyl selenocyanate.
Chemical Property Profile of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate
Property Insights of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate
The XLogP value of 1.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate. With a topological polar surface area (TPSA) of 47.6 Ų, Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate 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 Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate?
The CAS number of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate is 85539-83-9.
What is the molecular formula of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate?
The molecular formula of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate is C10H8N2Se2.
What is the molecular weight of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate?
The molecular weight of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate is 315.90 g/mol.
Where can I buy Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate?
You can request a quote for Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate?
Yes, KEHONG BIO provides custom synthesis services for Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.