![2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid structure](/static/products/4780/478035-63-1.webp)
2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid
TL;DR: 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid (CAS 478035-63-1) 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-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
Also Known As: 2-[3-(trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid, 2-(3-(Trifluoromethyl)benzyl)thiazole-4-carboxylic acid, 2-{[3-(trifluoromethyl)phenyl]methyl}-1,3-thiazole-4-carboxylic acid, trifluoromethylbenzylthiazolecarboxylicacid, 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic Acid
| Molecular Formula | C12H8F3NO2S |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 3.4509 |
| 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 | 607.0171 |
Chemical Identifiers
| CAS Number | 478035-63-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CC2=NC(=CS2)C(=O)O |
Product Overview
2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid (CAS 478035-63-1), with molecular formula C12H8F3NO2S and molecular weight 287.02 g/mol. IUPAC: 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid
Property Insights of 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid
The XLogP value of 3.4509 indicates that 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic 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-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic 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-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid?
The CAS number of 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid is 478035-63-1.
What is the molecular formula of 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid?
The molecular formula of 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid is C12H8F3NO2S.
What is the molecular weight of 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid?
The molecular weight of 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid is 287.02 g/mol.
Where can I buy 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid?
You can request a quote for 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Trifluoromethyl)benzyl]-1,3-thiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.