5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-
TL;DR: 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- (CAS 82424-98-4) is a chemical compound with molecular formula C11H5ClF3NO2S and molecular weight 306.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid
Also Known As: 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-, 4-Chloro-3-(3-(trifluoromethyl)phenyl)-5-isothiazolecarboxylic acid, 4-chloro-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid, 4-Chloro-3-[3-(trifluoromethyl)phenyl]-5-isothiazolecarboxylic acid, RefChem:303600
| Molecular Formula | C11H5ClF3NO2S |
|---|---|
| Molecular Weight | 306.97 g/mol |
| LogP | 4.1805 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.96817 |
| Heavy Atoms | 19 |
| Complexity | 639.1108 |
Chemical Identifiers
| CAS Number | 82424-98-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=NSC(=C2Cl)C(=O)O |
Product Overview
5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- (CAS 82424-98-4), with molecular formula C11H5ClF3NO2S and molecular weight 306.97 g/mol. IUPAC: 4-chloro-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid.
Chemical Property Profile of 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-
Property Insights of 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-
The XLogP value of 4.1805 indicates that 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- 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 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-?
The CAS number of 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- is 82424-98-4.
What is the molecular formula of 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- is C11H5ClF3NO2S.
What is the molecular weight of 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- is 306.97 g/mol.
Where can I buy 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Isothiazolecarboxylic acid, 4-chloro-3-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.