![4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one structure](/static/products/7122/712271-03-9.webp)
4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
TL;DR: 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one (CAS 712271-03-9) is a chemical compound with molecular formula C13H12FN3O2S and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
Also Known As: Maybridge3_002796, IDI1_014183, 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one, 2-[(4-cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)-1-ethanone, 2-[(4-cyclopropyl-5-hydroxy-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethan-1-one
| Molecular Formula | C13H12FN3O2S |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 2.0204 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.06342 |
| Heavy Atoms | 20 |
| Complexity | 688.38696 |
Chemical Identifiers
| CAS Number | 712271-03-9 |
|---|---|
| SMILES | C1CC1N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)F |
Product Overview
4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one (CAS 712271-03-9), with molecular formula C13H12FN3O2S and molecular weight 293.06 g/mol. IUPAC: 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
Property Insights of 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one
The XLogP value of 2.0204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one. Following Lipinski's Rule of Five, 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one has 1 hydrogen bond donor(s) and 4 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 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one?
The CAS number of 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one is 712271-03-9.
What is the molecular formula of 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one?
The molecular formula of 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one is C13H12FN3O2S.
What is the molecular weight of 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one?
The molecular weight of 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one is 293.06 g/mol.
Where can I buy 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one?
You can request a quote for 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-cyclopropyl-3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.