RefChem:290250
TL;DR: RefChem:290250 (CAS 38460-93-4) is a chemical compound with molecular formula C15H12F3NO2S and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
Also Known As: 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid, (m-Trifluoromethyl-phenyl)-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole [French], 4,5,6,7-Tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-benzothiazolecarboxylic acid, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-, (m-Trifluoromethyl-phenyl)-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole
| Molecular Formula | C15H12F3NO2S |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.05408 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 38460-93-4 |
|---|---|
| SMILES | C1CC(C2=C(C1)SC(=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O |
| InChIKey | HBIJCIREKLMXBY-UHFFFAOYSA-N |
Product Overview
RefChem:290250 (CAS 38460-93-4), with molecular formula C15H12F3NO2S and molecular weight 327.05 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid.
Chemical Property Profile of RefChem:290250
Property Insights of RefChem:290250
The XLogP value of 3.8 indicates that RefChem:290250 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:290250. Following Lipinski's Rule of Five, RefChem:290250 has 1 hydrogen bond donor(s) and 7 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 RefChem:290250?
The CAS number of RefChem:290250 is 38460-93-4.
What is the molecular formula of RefChem:290250?
The molecular formula of RefChem:290250 is C15H12F3NO2S.
What is the molecular weight of RefChem:290250?
The molecular weight of RefChem:290250 is 327.05 g/mol.
Where can I buy RefChem:290250?
You can request a quote for RefChem:290250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:290250?
Yes, KEHONG BIO provides custom synthesis services for RefChem:290250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.