(2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate
TL;DR: (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate (CAS 957481-12-8) is a chemical compound with molecular formula C16H15NO5S and molecular weight 333.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate
Also Known As: CBKinase1_005688, CBKinase1_018088, (2,5-dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate, 2,5-dimethylphenyl 2-((2-nitrophenyl)sulfinyl)acetate, VU0509264-1
| Molecular Formula | C16H15NO5S |
|---|---|
| Molecular Weight | 333.07 g/mol |
| LogP | 2.92484 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.0671 |
| Heavy Atoms | 23 |
| Complexity | 787.7901 |
Chemical Identifiers
| CAS Number | 957481-12-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)OC(=O)CS(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
(2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate (CAS 957481-12-8), with molecular formula C16H15NO5S and molecular weight 333.07 g/mol. IUPAC: (2,5-dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate
Property Insights of (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate
The XLogP value of 2.92484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate. Following Lipinski's Rule of Five, (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate has 0 hydrogen bond donor(s) and 5 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 (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
The CAS number of (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate is 957481-12-8.
What is the molecular formula of (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
The molecular formula of (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate is C16H15NO5S.
What is the molecular weight of (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
The molecular weight of (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate is 333.07 g/mol.
Where can I buy (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
You can request a quote for (2,5-Dimethylphenyl) 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 (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-Dimethylphenyl) 2-(2-nitrophenyl)sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.