N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide
TL;DR: N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide (CAS 433689-63-5) is a chemical compound with molecular formula C15H12FN5O and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide
Also Known As: N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide, N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide, N-[(3E)-5-amino-1-phenyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene]-4-fluorobenzamide, Cambridge id 6962833
| Molecular Formula | C15H12FN5O |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1026 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 433689-63-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC(=N2)NC(=O)C3=CC=C(C=C3)F)N |
| InChIKey | FLGUNXUEIFFMEC-UHFFFAOYSA-N |
Product Overview
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide (CAS 433689-63-5), with molecular formula C15H12FN5O and molecular weight 297.10 g/mol. IUPAC: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide
Property Insights of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide 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-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide?
The CAS number of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide is 433689-63-5.
What is the molecular formula of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide?
The molecular formula of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide is C15H12FN5O.
What is the molecular weight of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide?
The molecular weight of N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide is 297.10 g/mol.
Where can I buy N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide?
You can request a quote for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.