N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide
TL;DR: N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide (CAS 1024086-36-9) is a chemical compound with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide
Also Known As: N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide, N-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl)-4-fluoro-benzamide, N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluoro-benzamide, N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide
| Molecular Formula | C12H13FN4OS |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.02969 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0794 |
| Heavy Atoms | 19 |
| Complexity | 631.9241 |
Chemical Identifiers
| CAS Number | 1024086-36-9 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CNC(=O)C2=CC=C(C=C2)F |
Product Overview
N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide (CAS 1024086-36-9), with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol. IUPAC: N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-fluorobenzamide.
Chemical Property Profile of N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide
Property Insights of N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide
The XLogP value of 2.02969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide has 2 hydrogen bond donor(s) and 3 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-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide?
The CAS number of N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide is 1024086-36-9.
What is the molecular formula of N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide?
The molecular formula of N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide is C12H13FN4OS.
What is the molecular weight of N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide?
The molecular weight of N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide is 280.08 g/mol.
Where can I buy N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide?
You can request a quote for N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-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-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-Ethyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.