![N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide structure](/static/products/714/714947-96-3.png)
N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide
TL;DR: N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide (CAS 714947-96-3) is a chemical compound with molecular formula C17H13ClFN5O3S and molecular weight 421.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzenesulfonamide
Also Known As: N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide, N-[7-(4-Chloro-phenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluoro-benzenesul fonamide, N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzenesulfonamide, N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzenesulfonamide
| Molecular Formula | C17H13ClFN5O3S |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 2.803 |
| Topological Polar Surface Area | 105.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.04117 |
| Heavy Atoms | 28 |
| Complexity | 1146.5409 |
Chemical Identifiers
| CAS Number | 714947-96-3 |
|---|---|
| SMILES | C1C(N2C(=NC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F)NC1=O)C4=CC=C(C=C4)Cl |
Product Overview
N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide (CAS 714947-96-3), with molecular formula C17H13ClFN5O3S and molecular weight 421.04 g/mol. IUPAC: N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzenesulfonamide.
Chemical Property Profile of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide
Property Insights of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide
The XLogP value of 2.803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide. The TPSA of 105.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide. Following Lipinski's Rule of Five, N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide has 2 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-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide?
The CAS number of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide is 714947-96-3.
What is the molecular formula of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide?
The molecular formula of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide is C17H13ClFN5O3S.
What is the molecular weight of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide?
The molecular weight of N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide is 421.04 g/mol.
Where can I buy N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide?
You can request a quote for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(7-(4-chlorophenyl)-5-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.