![(4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate structure](/static/products/957/957400-03-2.png)
(4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
TL;DR: (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate (CAS 957400-03-2) is a chemical compound with molecular formula C15H9BrF3NO5S and molecular weight 450.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
Also Known As: CBKinase1_005585, CBKinase1_017985, VU0509271-1, (4-bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate, 4-BROMOPHENYL 2-[2-NITRO-4-(TRIFLUOROMETHYL)BENZENESULFINYL]ACETATE
| Molecular Formula | C15H9BrF3NO5S |
|---|---|
| Molecular Weight | 450.93 g/mol |
| LogP | 4.0893 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.9337 |
| Heavy Atoms | 26 |
| Complexity | 870.57587 |
Chemical Identifiers
| CAS Number | 957400-03-2 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Br |
Product Overview
(4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate (CAS 957400-03-2), with molecular formula C15H9BrF3NO5S and molecular weight 450.93 g/mol. IUPAC: (4-bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate.
Chemical Property Profile of (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
Property Insights of (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
The XLogP value of 4.0893 indicates that (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]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-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate. Following Lipinski's Rule of Five, (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]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-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
The CAS number of (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate is 957400-03-2.
What is the molecular formula of (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
The molecular formula of (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate is C15H9BrF3NO5S.
What is the molecular weight of (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
The molecular weight of (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate is 450.93 g/mol.
Where can I buy (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
You can request a quote for (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.