2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-
TL;DR: 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- (CAS 21985-04-6) is a chemical compound with molecular formula C13H8OS and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-thiophen-2-ylprop-2-yn-1-one
Also Known As: 2-Thienyl(phenylethynyl) ketone, 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-, 1-(2-thenoyl)-2-phenylacetylene, (2-Thienyl)(phenylethynyl) ketone, 3-phenyl-1-thiophen-2-ylprop-2-yn-1-one
| Molecular Formula | C13H8OS |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 2.9825 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.02959 |
| Heavy Atoms | 15 |
| Complexity | 500.46902 |
Chemical Identifiers
| CAS Number | 21985-04-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC(=O)C2=CC=CS2 |
Product Overview
2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- (CAS 21985-04-6), with molecular formula C13H8OS and molecular weight 212.03 g/mol. IUPAC: 3-phenyl-1-thiophen-2-ylprop-2-yn-1-one.
Chemical Property Profile of 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-
Property Insights of 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-
The XLogP value of 2.9825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- has 0 hydrogen bond donor(s) and 2 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 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-?
The CAS number of 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- is 21985-04-6.
What is the molecular formula of 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-?
The molecular formula of 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- is C13H8OS.
What is the molecular weight of 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-?
The molecular weight of 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- is 212.03 g/mol.
Where can I buy 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-?
You can request a quote for 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-one, 3-phenyl-1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.