N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide
TL;DR: N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide (CAS 384804-48-2) is a chemical compound with molecular formula C8H4F3N3OS and molecular weight 247.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide
Also Known As: BAS 05264702, N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide, N-Benzo[1,2,5]thiadiazol-5-yl-2,2,2-trifluoro-acetamide
| Molecular Formula | C8H4F3N3OS |
|---|---|
| Molecular Weight | 247.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.00272 |
| Heavy Atoms | 16 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 384804-48-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1NC(=O)C(F)(F)F |
| InChIKey | KTGVAMYSEVKNDM-UHFFFAOYSA-N |
Product Overview
N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide (CAS 384804-48-2), with molecular formula C8H4F3N3OS and molecular weight 247.00 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide
Property Insights of N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide. Following Lipinski's Rule of Five, N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide has 1 hydrogen bond donor(s) and 7 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-5-yl)-2,2,2-trifluoroacetamide?
The CAS number of N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide is 384804-48-2.
What is the molecular formula of N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide is C8H4F3N3OS.
What is the molecular weight of N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide is 247.00 g/mol.
Where can I buy N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide 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-5-yl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzothiadiazol-5-yl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.