![[4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate structure](/static/products/957/957481-51-5.png)
[4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate
TL;DR: [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate (CAS 957481-51-5) is a chemical compound with molecular formula C21H14N2O5S and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate
Also Known As: VU0509262-1, [4-(4-cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate, 4'-CYANO-[1,1'-BIPHENYL]-4-YL 2-(2-NITROBENZENESULFINYL)ACETATE, 4'-cyano-4-biphenylyl [(2-nitrophenyl)sulfinyl]acetate, F3103-0015
| Molecular Formula | C21H14N2O5S |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 3.84668 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.06235 |
| Heavy Atoms | 29 |
| Complexity | 1119.0585 |
Chemical Identifiers
| CAS Number | 957481-51-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)CC(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N |
Product Overview
[4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate (CAS 957481-51-5), with molecular formula C21H14N2O5S and molecular weight 406.06 g/mol. IUPAC: [4-(4-cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate
Property Insights of [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate
The XLogP value of 3.84668 indicates that [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate. Following Lipinski's Rule of Five, [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate has 0 hydrogen bond donor(s) and 6 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-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate?
The CAS number of [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate is 957481-51-5.
What is the molecular formula of [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate?
The molecular formula of [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate is C21H14N2O5S.
What is the molecular weight of [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate?
The molecular weight of [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate is 406.06 g/mol.
Where can I buy [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate?
You can request a quote for [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Cyanophenyl)phenyl] 2-(2-nitrophenyl)sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.