![2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate structure](/static/products/2173/217317-12-9.webp)
2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate
TL;DR: 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate (CAS 217317-12-9) is a chemical compound with molecular formula C15H7F4N3O4S and molecular weight 401.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide
Also Known As: 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate, N-(2-fluorophenyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide, 2-[(2-fluorophenyl)carbamoyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate
| Molecular Formula | C15H7F4N3O4S |
|---|---|
| Molecular Weight | 401.01 g/mol |
| LogP | 3.8531 |
| Topological Polar Surface Area | 99.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.00934 |
| Heavy Atoms | 27 |
| Complexity | 1080.8446 |
Chemical Identifiers
| CAS Number | 217317-12-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-])F |
Product Overview
2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate (CAS 217317-12-9), with molecular formula C15H7F4N3O4S and molecular weight 401.01 g/mol. IUPAC: N-(2-fluorophenyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide.
Chemical Property Profile of 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate
Property Insights of 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate
The XLogP value of 3.8531 indicates that 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate. Following Lipinski's Rule of Five, 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate has 1 hydrogen bond donor(s) and 5 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-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate?
The CAS number of 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate is 217317-12-9.
What is the molecular formula of 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate?
The molecular formula of 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate is C15H7F4N3O4S.
What is the molecular weight of 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate?
The molecular weight of 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate is 401.01 g/mol.
Where can I buy 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate?
You can request a quote for 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-fluoroanilino)carbonyl]-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.