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 315.9018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(selenocyanatomethyl)phenyl]methyl selenocyanate
Also Known As: p-XSC, p-Xyleneselenocyanate, 1,4-Phenylenebis(methylene)selenocyanate, para-Xylylselenocyanate, Phenylenebis(methylene)selenocyanate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8N2Se2 |
| Molecular Weight | 315.9018 g/mol |
| XLogP | 1.06 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.9018 Da |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
| SMILES | C1=CC(=CC=C1C[Se]C#N)C[Se]C#N |
| InChIKey | QFTBWTJGZHUOAW-UHFFFAOYSA-N |
Product Description
Applications: Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate (CAS 85539-83-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate (CAS 85539-83-9) has the molecular formula C10H8N2Se2 and a molecular weight of 315.9 g/mol. It is also known as p-XSC and p-Xyleneselenocyanate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 315.9018 g/mol.
What are the applications of Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate?
Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Se,Se'-(1,4-Phenylenebis(methylene)) diselenocyanate?
Yes, CoreyChem 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.