3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
TL;DR: 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one (CAS 3988-77-0) 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.
3-phenyl-1-thiophen-2-ylprop-2-en-1-one
Also Known As: 2-Cinnamoylthiophene, 3-phenyl-1-(thiophen-2-yl)prop-2-en-1-one, NCIOpen2_007121, 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one, 3-phenyl-1-thiophen-2-ylprop-2-en-1-one
| Molecular Formula | C13H10OS |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 3.7 |
| 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 | 3988-77-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC=CS2 |
| InChIKey | DDNPADUKGZMCHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-1-(thien-2-yl)prop-2-en-1-one (CAS 3988-77-0), with molecular formula C13H10OS and molecular weight 214.05 g/mol. IUPAC: 3-phenyl-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
Property Insights of 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one
The XLogP value of 3.7 indicates that 3-Phenyl-1-(thien-2-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, 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1-(thien-2-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 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one?
The CAS number of 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one is 3988-77-0.
What is the molecular formula of 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one?
The molecular formula of 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one is C13H10OS.
What is the molecular weight of 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one?
The molecular weight of 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one is 214.05 g/mol.
Where can I buy 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one?
You can request a quote for 3-Phenyl-1-(thien-2-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 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1-(thien-2-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.