4,4'-磺酰基双(苯甲腈)
TL;DR: 4,4'-磺酰基双(苯甲腈) (CAS 6461-99-0) is a chemical compound with molecular formula C14H8N2O2S and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-磺酰基双(苯甲腈)
4-(4-cyanophenyl)sulfonylbenzonitrile
Also Known As: p-Cyanophenyl sulfone, 4,4'-Sulfonyldibenzonitrile, 4,4'-Dicyanodiphenylsulphone, Sulfone, bis(p-cyanophenyl), BENZONITRILE, 4,4'-SULFONYLDI-
| Molecular Formula | C14H8N2O2S |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.03064 |
| Heavy Atoms | 19 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 6461-99-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)S(=O)(=O)C2=CC=C(C=C2)C#N |
| InChIKey | MZKBKRFSDLTYAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-磺酰基双(苯甲腈) (CAS 6461-99-0), with molecular formula C14H8N2O2S and molecular weight 268.03 g/mol. IUPAC: 4-(4-cyanophenyl)sulfonylbenzonitrile.
Chemical Property Profile of 4,4'-磺酰基双(苯甲腈)
Property Insights of 4,4'-磺酰基双(苯甲腈)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-磺酰基双(苯甲腈). The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-磺酰基双(苯甲腈). Following Lipinski's Rule of Five, 4,4'-磺酰基双(苯甲腈) has 0 hydrogen bond donor(s) and 4 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 4,4'-磺酰基双(苯甲腈)?
The CAS number of 4,4'-磺酰基双(苯甲腈) is 6461-99-0.
What is the molecular formula of 4,4'-磺酰基双(苯甲腈)?
The molecular formula of 4,4'-磺酰基双(苯甲腈) is C14H8N2O2S.
What is the molecular weight of 4,4'-磺酰基双(苯甲腈)?
The molecular weight of 4,4'-磺酰基双(苯甲腈) is 268.03 g/mol.
Where can I buy 4,4'-磺酰基双(苯甲腈)?
You can request a quote for 4,4'-磺酰基双(苯甲腈) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-磺酰基双(苯甲腈)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-磺酰基双(苯甲腈) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.