2-Buten-1-one,1-(2-thienyl)-
TL;DR: 2-Buten-1-one,1-(2-thienyl)- (CAS 31618-83-4) is a chemical compound with molecular formula C8H8OS and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-thiophen-2-ylbut-2-en-1-one
Also Known As: 1-thiophen-2-ylbut-2-en-1-one, 1-Thiophen-2-yl-but-2-en-1-one, (E)-1-thiophen-2-ylbut-2-en-1-one, 2-BUTEN-1-ONE,1-(2-THIENYL)-
| Molecular Formula | C8H8OS |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.02959 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 31618-83-4 |
|---|---|
| SMILES | CC=CC(=O)C1=CC=CS1 |
| InChIKey | JDODNXIRTYJZDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Buten-1-one,1-(2-thienyl)- (CAS 31618-83-4), with molecular formula C8H8OS and molecular weight 152.03 g/mol. IUPAC: 1-thiophen-2-ylbut-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one,1-(2-thienyl)-
Property Insights of 2-Buten-1-one,1-(2-thienyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one,1-(2-thienyl)-. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Buten-1-one,1-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one,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-Buten-1-one,1-(2-thienyl)-?
The CAS number of 2-Buten-1-one,1-(2-thienyl)- is 31618-83-4.
What is the molecular formula of 2-Buten-1-one,1-(2-thienyl)-?
The molecular formula of 2-Buten-1-one,1-(2-thienyl)- is C8H8OS.
What is the molecular weight of 2-Buten-1-one,1-(2-thienyl)-?
The molecular weight of 2-Buten-1-one,1-(2-thienyl)- is 152.03 g/mol.
Where can I buy 2-Buten-1-one,1-(2-thienyl)-?
You can request a quote for 2-Buten-1-one,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-Buten-1-one,1-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one,1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.