2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole
TL;DR: 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole (CAS 400797-96-8) is a chemical compound with molecular formula C13H13F3N2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-4-yl-5-(trifluoromethyl)-1,3-benzothiazole
Also Known As: 2-(piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole, 2-(Piperidin-4-yl)-5-(trifluoromethyl)benzo[d]thiazole, 2-piperidin-4-yl-5-(trifluoromethyl)-1,3-benzothiazole, 2-piperidin-4-yl-5-trifluoromethyl-benzothiazole, 2-(4-piperidyl)-5-(trifluoromethyl)benzothiazole
| Molecular Formula | C13H13F3N2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 3.7821 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.07516 |
| Heavy Atoms | 19 |
| Complexity | 585.0761 |
Chemical Identifiers
| CAS Number | 400797-96-8 |
|---|---|
| SMILES | C1CNCCC1C2=NC3=C(S2)C=CC(=C3)C(F)(F)F |
Product Overview
2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole (CAS 400797-96-8), with molecular formula C13H13F3N2S and molecular weight 286.08 g/mol. IUPAC: 2-piperidin-4-yl-5-(trifluoromethyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole
Property Insights of 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole
The XLogP value of 3.7821 indicates that 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole 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-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The CAS number of 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole is 400797-96-8.
What is the molecular formula of 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The molecular formula of 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole is C13H13F3N2S.
What is the molecular weight of 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The molecular weight of 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole is 286.08 g/mol.
Where can I buy 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
You can request a quote for 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.