![N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide structure](/static/products/256/256325-92-5.png)
N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide
TL;DR: N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide (CAS 256325-92-5) is a chemical compound with molecular formula C18H13F6N3OS and molecular weight 433.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methylbenzamide
Also Known As: N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide, N-(2-(benzo[d]thiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylbenzamide, N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methylbenzamide, N-[1-(1,3-Benzothiazol-2-ylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-4-methylbenzamide #, N-{2-[(2E)-1,3-benzothiazol-2(3H)-ylideneamino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-4-methylbenzamide
| Molecular Formula | C18H13F6N3OS |
|---|---|
| Molecular Weight | 433.07 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.06836 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 256325-92-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=NC3=CC=CC=C3S2 |
| InChIKey | ZBNCLHYCIYBODG-UHFFFAOYSA-N |
Product Overview
N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide (CAS 256325-92-5), with molecular formula C18H13F6N3OS and molecular weight 433.07 g/mol. IUPAC: N-[2-(1,3-benzothiazol-2-ylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-methylbenzamide.
Chemical Property Profile of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide
Property Insights of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide
The XLogP value of 6.8 indicates that N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide. Following Lipinski's Rule of Five, N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide?
The CAS number of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide is 256325-92-5.
What is the molecular formula of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide?
The molecular formula of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide is C18H13F6N3OS.
What is the molecular weight of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide?
The molecular weight of N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide is 433.07 g/mol.
Where can I buy N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide?
You can request a quote for N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(2-Benzothiazolylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-p-toluamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.