1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one
TL;DR: 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one (CAS 106522-00-3) is a chemical compound with molecular formula C13H10OS and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-thiophen-3-ylprop-2-en-1-one
Also Known As: 1-phenyl-3-(thiophen-3-yl)prop-2-en-1-one, 1-Phenyl-3-(3-thienyl)-2-propen-1-one, 1-phenyl-3-thiophen-3-ylprop-2-en-1-one, NCI60_035939, 1-phenyl-3-(3-thienyl)prop-2-en-1-one
| Molecular Formula | C13H10OS |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.04524 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 106522-00-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CSC=C2 |
| InChIKey | UREUCWDGXKLIIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one (CAS 106522-00-3), with molecular formula C13H10OS and molecular weight 214.05 g/mol. IUPAC: 1-phenyl-3-thiophen-3-ylprop-2-en-1-one.
Chemical Property Profile of 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one
Property Insights of 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one
The XLogP value of 3.4 indicates that 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one 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 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one?
The CAS number of 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one is 106522-00-3.
What is the molecular formula of 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one?
The molecular formula of 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one is C13H10OS.
What is the molecular weight of 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one?
The molecular weight of 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one is 214.05 g/mol.
Where can I buy 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one?
You can request a quote for 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(thiophen-3-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.