N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide
TL;DR: N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide (CAS 889953-75-7) is a chemical compound with molecular formula C15H10FN3O4S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)acetamide
Also Known As: N-(2-fluorophenyl)-2-(6-nitro-3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide, A3950/0168245, N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide, N-(2-fluorophenyl)-2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)acetamide, N-(2-FLUOROPHENYL)-2-(6-NITRO-3-OXO-2,3-DIHYDRO-1,2-BENZOTHIAZOL-2-YL)ACETAMIDE
| Molecular Formula | C15H10FN3O4S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 2.749 |
| Topological Polar Surface Area | 94.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0376 |
| Heavy Atoms | 24 |
| Complexity | 1011.36694 |
Chemical Identifiers
| CAS Number | 889953-75-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CN2C(=O)C3=C(S2)C=C(C=C3)[N+](=O)[O-])F |
Product Overview
N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide (CAS 889953-75-7), with molecular formula C15H10FN3O4S and molecular weight 347.04 g/mol. IUPAC: N-(2-fluorophenyl)-2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)acetamide.
Chemical Property Profile of N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide
Property Insights of N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide
The XLogP value of 2.749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide. The TPSA of 94.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide. Following Lipinski's Rule of Five, N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide 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 N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide?
The CAS number of N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide is 889953-75-7.
What is the molecular formula of N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide?
The molecular formula of N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide is C15H10FN3O4S.
What is the molecular weight of N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide?
The molecular weight of N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide is 347.04 g/mol.
Where can I buy N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide?
You can request a quote for N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Fluorophenyl)-6-nitro-3-oxo-1,2-benzisothiazole-2(3H)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.