![{[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid structure](/static/products/874/874783-75-2.png)
{[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid
TL;DR: {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid (CAS 874783-75-2) is a chemical compound with molecular formula C12H8F3NO2S and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetic acid
Also Known As: Maybridge3_004113, {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid, IDI1_015500, 2-{[2-(trifluoromethyl)-4-quinolyl]thio}acetic acid, 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetic acid
| Molecular Formula | C12H8F3NO2S |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 3.4303 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0228 |
| Heavy Atoms | 19 |
| Complexity | 627.89087 |
Chemical Identifiers
| CAS Number | 874783-75-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCC(=O)O |
Product Overview
{[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid (CAS 874783-75-2), with molecular formula C12H8F3NO2S and molecular weight 287.02 g/mol. IUPAC: 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetic acid.
Chemical Property Profile of {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid
Property Insights of {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid
The XLogP value of 3.4303 indicates that {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid has 1 hydrogen bond donor(s) and 3 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-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid?
The CAS number of {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid is 874783-75-2.
What is the molecular formula of {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid?
The molecular formula of {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid is C12H8F3NO2S.
What is the molecular weight of {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid?
The molecular weight of {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid is 287.02 g/mol.
Where can I buy {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid?
You can request a quote for {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[2-(Trifluoromethyl)quinolin-4-yl]thio}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.