![3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine structure](/static/products/4442/444285-53-4.webp)
3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
TL;DR: 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 444285-53-4) is a chemical compound with molecular formula C11H13FN4S and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine, F3098-1554, 3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-ethyl-5-[(4-fluorophenyl)methylthio]-1,2,4-triazole-4-ylamine, 3-ethyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C11H13FN4S |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.0845 |
| Heavy Atoms | 17 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 444285-53-4 |
|---|---|
| SMILES | CCC1=NN=C(N1N)SCC2=CC=C(C=C2)F |
| InChIKey | PESASXLPLQVNLP-UHFFFAOYSA-N |
Product Overview
3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 444285-53-4), with molecular formula C11H13FN4S and molecular weight 252.08 g/mol. IUPAC: 3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Property Insights of 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine has 1 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-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The CAS number of 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 444285-53-4.
What is the molecular formula of 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular formula of 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is C11H13FN4S.
What is the molecular weight of 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular weight of 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 252.08 g/mol.
Where can I buy 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
You can request a quote for 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-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-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.