![3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine structure](/static/products/5779/577982-22-0.webp)
3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine (CAS 577982-22-0) is a chemical compound with molecular formula C16H13FN6S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine, 3-(1H-benzoimidazol-2-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine, 5-(benzimidazol-2-ylmethylthio)-3-(2-fluorophenyl)-1,2,4-triazole-4-ylamine
| Molecular Formula | C16H13FN6S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 2.9666 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.09064 |
| Heavy Atoms | 24 |
| Complexity | 975.6562 |
Chemical Identifiers
| CAS Number | 577982-22-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3)F |
Product Overview
3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine (CAS 577982-22-0), with molecular formula C16H13FN6S and molecular weight 340.09 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.9666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine 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 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine is 577982-22-0.
What is the molecular formula of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine is C16H13FN6S.
What is the molecular weight of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine is 340.09 g/mol.
Where can I buy 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-fluorophenyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.