![2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester structure](/static/products/957/957482-03-0.png)
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester
TL;DR: 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester (CAS 957482-03-0) is a chemical compound with molecular formula C15H9ClF3NO5S and molecular weight 406.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
Also Known As: CBKinase1_006173, CBKinase1_018573, VU0171498-3, (4-chlorophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate, BRD-A93893742-001-01-4
| Molecular Formula | C15H9ClF3NO5S |
|---|---|
| Molecular Weight | 406.98 g/mol |
| LogP | 3.9802 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.9842 |
| Heavy Atoms | 26 |
| Complexity | 870.57587 |
Chemical Identifiers
| CAS Number | 957482-03-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl |
Product Overview
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester (CAS 957482-03-0), with molecular formula C15H9ClF3NO5S and molecular weight 406.98 g/mol. IUPAC: (4-chlorophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate.
Chemical Property Profile of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester
Property Insights of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester
The XLogP value of 3.9802 indicates that 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester 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 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester. Following Lipinski's Rule of Five, 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester 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-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester?
The CAS number of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester is 957482-03-0.
What is the molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester?
The molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester is C15H9ClF3NO5S.
What is the molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester?
The molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester is 406.98 g/mol.
Where can I buy 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester?
You can request a quote for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.