(4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate
TL;DR: (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate (CAS 957481-57-1) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butylphenyl) 2-(2-nitrophenyl)sulfinylacetate
Also Known As: (4-butylphenyl) 2-(2-nitrophenyl)sulfinylacetate, 4-butylphenyl 2-((2-nitrophenyl)sulfinyl)acetate, 4-BUTYLPHENYL 2-(2-NITROBENZENESULFINYL)ACETATE, VU0509260-1, 4-butylphenyl [(2-nitrophenyl)sulfinyl]acetate
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.6506 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 773.29083 |
Chemical Identifiers
| CAS Number | 957481-57-1 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)OC(=O)CS(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
(4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate (CAS 957481-57-1), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: (4-butylphenyl) 2-(2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate
Property Insights of (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate
The XLogP value of 3.6506 indicates that (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate. Following Lipinski's Rule of Five, (4-Butylphenyl) 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 (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
The CAS number of (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate is 957481-57-1.
What is the molecular formula of (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
The molecular formula of (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate is C18H19NO5S.
What is the molecular weight of (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
The molecular weight of (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate is 361.10 g/mol.
Where can I buy (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
You can request a quote for (4-Butylphenyl) 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-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Butylphenyl) 2-(2-nitrophenyl)sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.