N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
TL;DR: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (CAS 330189-71-4) is a chemical compound with molecular formula C17H15F3N2O2S and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
Also Known As: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide, N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide, F0317-0213, N-(5,5-DIMETHYL-7-OXO(4,5,6-TRIHYDROBENZOTHIAZOL-2-YL))(3-(TRIFLUOROMETHYL)PHENYL)FORMAMIDE, N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-3-(trifluoromethyl)benzamide
| Molecular Formula | C17H15F3N2O2S |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 4.5693 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.08063 |
| Heavy Atoms | 25 |
| Complexity | 855.8181 |
Chemical Identifiers
| CAS Number | 330189-71-4 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C |
Product Overview
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (CAS 330189-71-4), with molecular formula C17H15F3N2O2S and molecular weight 368.08 g/mol. IUPAC: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
Property Insights of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
The XLogP value of 4.5693 indicates that N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 4 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 N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The CAS number of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is 330189-71-4.
What is the molecular formula of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The molecular formula of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is C17H15F3N2O2S.
What is the molecular weight of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The molecular weight of N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is 368.08 g/mol.
Where can I buy N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
You can request a quote for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.