![2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide structure](/static/products/4894/489414-77-9.webp)
2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide
TL;DR: 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide (CAS 489414-77-9) is a chemical compound with molecular formula C17H9ClF6N4O3S and molecular weight 498.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[1,1,1,3,3,3-hexafluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propan-2-yl]benzamide
Also Known As: 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide, 2-chloro-N-[1,1,1,3,3,3-hexafluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propan-2-yl]benzamide, 2-Chloro-N-[2,2,2-trifluoro-1-(6-nitro-benzothiazol-2-ylamino)-1-trifluoromethyl-ethyl]-benzamide, 2-chloranyl-N-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propan-2-yl]benzamide, 2-chloro-N-(1,1,1,3,3,3-hexafluoro-2-((6-nitrobenzo[d]thiazol-2-yl)amino)propan-2-yl)benzamide
| Molecular Formula | C17H9ClF6N4O3S |
|---|---|
| Molecular Weight | 498.00 g/mol |
| LogP | 5.5207 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.9988 |
| Heavy Atoms | 32 |
| Complexity | 1182.9789 |
Chemical Identifiers
| CAS Number | 489414-77-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide (CAS 489414-77-9), with molecular formula C17H9ClF6N4O3S and molecular weight 498.00 g/mol. IUPAC: 2-chloro-N-[1,1,1,3,3,3-hexafluoro-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]propan-2-yl]benzamide.
Chemical Property Profile of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide
Property Insights of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide
The XLogP value of 5.5207 indicates that 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide. Following Lipinski's Rule of Five, 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide?
The CAS number of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide is 489414-77-9.
What is the molecular formula of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide?
The molecular formula of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide is C17H9ClF6N4O3S.
What is the molecular weight of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide?
The molecular weight of 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide is 498.00 g/mol.
Where can I buy 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide?
You can request a quote for 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-[2,2,2-trifluoro-1-[(6-nitro-2-benzothiazolyl)amino]-1-(trifluoromethyl)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.