5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE
TL;DR: 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE (CAS 1024198-99-9) is a chemical compound with molecular formula C16H10FN3OS2 and molecular weight 343.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-fluorophenyl)-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone
Also Known As: 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE, [5-(4-fluorophenyl)-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone, [5-(4-fluorophenyl)-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl]-(2-thienyl)methanone, [5-(4-fluorophenyl)-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone, 5-(4-fluorophenyl)-3-(prop-2-yn-1-ylsulfanyl)-1-(thiophene-2-carbonyl)-1H-1,2,4-triazole
| Molecular Formula | C16H10FN3OS2 |
|---|---|
| Molecular Weight | 343.02 g/mol |
| LogP | 3.5595 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.02493 |
| Heavy Atoms | 23 |
| Complexity | 863.86993 |
Chemical Identifiers
| CAS Number | 1024198-99-9 |
|---|---|
| SMILES | C#CCSC1=NN(C(=N1)C2=CC=C(C=C2)F)C(=O)C3=CC=CS3 |
Product Overview
5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE (CAS 1024198-99-9), with molecular formula C16H10FN3OS2 and molecular weight 343.02 g/mol. IUPAC: [5-(4-fluorophenyl)-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE
Property Insights of 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE
The XLogP value of 3.5595 indicates that 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE has 0 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 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE?
The CAS number of 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE is 1024198-99-9.
What is the molecular formula of 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE?
The molecular formula of 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE is C16H10FN3OS2.
What is the molecular weight of 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE?
The molecular weight of 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE is 343.02 g/mol.
Where can I buy 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE?
You can request a quote for 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-FLUOROPHENYL)-3-PROP-2-YNYLTHIO(1,2,4-TRIAZOLYL) 2-THIENYL KETONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.