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3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
TL;DR: 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (CAS 714213-68-0) is a chemical compound with molecular formula C12H15FN4S and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
Also Known As: 3-((2-Fluorobenzyl)thio)-5-propyl-4H-1,2,4-triazol-4-amine, 3-[(2-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine, 5-[(2-fluorophenyl)methylthio]-3-propyl-1,2,4-triazole-4-ylamine, 3-{[(2-FLUOROPHENYL)METHYL]SULFANYL}-5-PROPYL-1,2,4-TRIAZOL-4-AMINE, 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-propyl-4H-1,2,4-triazol-4-amine
| Molecular Formula | C12H15FN4S |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.10016 |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 714213-68-0 |
|---|---|
| SMILES | CCCC1=NN=C(N1N)SCC2=CC=CC=C2F |
| InChIKey | GPBOHCFZHRQXMR-UHFFFAOYSA-N |
Product Overview
3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine (CAS 714213-68-0), with molecular formula C12H15FN4S and molecular weight 266.10 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
Property Insights of 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-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-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The CAS number of 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is 714213-68-0.
What is the molecular formula of 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The molecular formula of 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is C12H15FN4S.
What is the molecular weight of 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
The molecular weight of 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine is 266.10 g/mol.
Where can I buy 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
You can request a quote for 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-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-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Fluorophenyl)methylsulfanyl]-5-propyl-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.