N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
TL;DR: N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CAS 340138-14-9) is a chemical compound with molecular formula C11H6F6N2OS and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Also Known As: N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide, N-(1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl, N-benzothiazol-2-yl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide, N-(2-Benzothiazolyl)-3,3,3-trifluoro-2-(trifluoromethyl)propionamide, N-(benzo[d]thiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
| Molecular Formula | C11H6F6N2OS |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.0105 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 340138-14-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)C(C(F)(F)F)C(F)(F)F |
| InChIKey | NYGXSUQZWJCTNB-UHFFFAOYSA-N |
Product Overview
N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CAS 340138-14-9), with molecular formula C11H6F6N2OS and molecular weight 328.01 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
Chemical Property Profile of N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Property Insights of N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
The XLogP value of 4.1 indicates that N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide. Following Lipinski's Rule of Five, N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has 1 hydrogen bond donor(s) and 9 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-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The CAS number of N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is 340138-14-9.
What is the molecular formula of N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The molecular formula of N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is C11H6F6N2OS.
What is the molecular weight of N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The molecular weight of N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is 328.01 g/mol.
Where can I buy N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
You can request a quote for N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzothiazol-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.