N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide
TL;DR: N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide (CAS 728030-76-0) is a chemical compound with molecular formula C13H8FN3OS and molecular weight 273.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide
Also Known As: N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide, BAS 12517846, N-Benzo[1,2,5]thiadiazol-4-yl-3-fluoro-benzamide, AP-970/43203829, A3870/0164418
| Molecular Formula | C13H8FN3OS |
|---|---|
| Molecular Weight | 273.04 g/mol |
| LogP | 3.0827 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0372 |
| Heavy Atoms | 19 |
| Complexity | 756.238 |
Chemical Identifiers
| CAS Number | 728030-76-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)NC2=CC=CC3=NSN=C32 |
Product Overview
N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide (CAS 728030-76-0), with molecular formula C13H8FN3OS and molecular weight 273.04 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide.
Chemical Property Profile of N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide
Property Insights of N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide
The XLogP value of 3.0827 indicates that N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide has 1 hydrogen bond donor(s) and 4 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-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide?
The CAS number of N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide is 728030-76-0.
What is the molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide?
The molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide is C13H8FN3OS.
What is the molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide?
The molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide is 273.04 g/mol.
Where can I buy N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide?
You can request a quote for N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzothiadiazol-4-yl)-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.