![N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide structure](/static/products/3319/331950-29-9.webp)
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide
TL;DR: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide (CAS 331950-29-9) is a chemical compound with molecular formula C21H14FN3O3S2 and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide
Also Known As: BAS 00666509, N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide, N-[3-(Benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-(4-fluoro-phenyl)-acetamide, N-{3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl}-2-(4-fluorophenyl)acetamide
| Molecular Formula | C21H14FN3O3S2 |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 5.676 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.04605 |
| Heavy Atoms | 30 |
| Complexity | 1208.9741 |
Chemical Identifiers
| CAS Number | 331950-29-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=CC(=CC(=C3)[N+](=O)[O-])NC(=O)CC4=CC=C(C=C4)F |
Product Overview
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide (CAS 331950-29-9), with molecular formula C21H14FN3O3S2 and molecular weight 439.05 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide
Property Insights of N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide
The XLogP value of 5.676 indicates that N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide has 1 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 N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide?
The CAS number of N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide is 331950-29-9.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide?
The molecular formula of N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide is C21H14FN3O3S2.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide?
The molecular weight of N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide is 439.05 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide?
You can request a quote for N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.