2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 392247-74-4) is a chemical compound with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide, F0475-0034, 2-fluoro-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide, 2-fluoro-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C16H12FN5O3S |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 2.90719 |
| Topological Polar Surface Area | 105.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.06448 |
| Heavy Atoms | 26 |
| Complexity | 1028.8645 |
Chemical Identifiers
| CAS Number | 392247-74-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NCC2=NNC(=S)N2C3=CC=C(C=C3)[N+](=O)[O-])F |
Product Overview
2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 392247-74-4), with molecular formula C16H12FN5O3S and molecular weight 373.06 g/mol. IUPAC: 2-fluoro-N-[[4-(4-nitrophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 2.90719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide. The TPSA of 105.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide 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 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide is 392247-74-4.
What is the molecular formula of 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide is C16H12FN5O3S.
What is the molecular weight of 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide is 373.06 g/mol.
Where can I buy 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-((4-(4-nitrophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.