![2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid structure](/static/products/504/5046-67-3.png)
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
TL;DR: 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid (CAS 5046-67-3) is a chemical compound with molecular formula C10H8F3NO4S and molecular weight 295.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
Also Known As: 2-(2-nitro-4-trifluoromethyl-phenylsulfanyl)-propionic acid, 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic Acid
| Molecular Formula | C10H8F3NO4S |
|---|---|
| Molecular Weight | 295.01 g/mol |
| LogP | 3.1788 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0126 |
| Heavy Atoms | 19 |
| Complexity | 517.9865 |
Chemical Identifiers
| CAS Number | 5046-67-3 |
|---|---|
| SMILES | CC(C(=O)O)SC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid (CAS 5046-67-3), with molecular formula C10H8F3NO4S and molecular weight 295.01 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid.
Chemical Property Profile of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
Property Insights of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
The XLogP value of 3.1788 indicates that 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid. Following Lipinski's Rule of Five, 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid has 1 hydrogen bond donor(s) and 4 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]sulfanylpropanoic acid?
The CAS number of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid is 5046-67-3.
What is the molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid?
The molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid is C10H8F3NO4S.
What is the molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid?
The molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid is 295.01 g/mol.
Where can I buy 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid?
You can request a quote for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid 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]sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.